4-(4-Methyl-1-piperazinyl)aniline - ≥98% , CAS No.16153-81-4

CAS: 16153-81-4 Cat. No.: M121860 Molecular Weight: 191.27 Beilstein Registry Number: 23(5)1,386 EC Number: 675-543-5

GRADE & PURITY ≥98%

Synonyms

4-(4-methyl-piperazin-1-yl) -phenylamine | 4-(4-Methylpiperazino) aniline | BB 0216416 | FT-0616653 | 4-Methyl-1-(4-aminophenyl)piperazine | SY002954 | 4-(4-methylpiperazin-1-yl)benzeneamine | 4-(4-Methyl-piperazin-1-yl)-phenylamine | 4-(4-Methylpiperazin

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

4-(4-methyl-piperazin-1-yl) -phenylamine | 4-(4-Methylpiperazino) aniline | BB 0216416 | FT-0616653 | 4-Methyl-1-(4-aminophenyl)piperazine | SY002954 | 4-(4-methylpiperazin-1-yl)benzeneamine | 4-(4-Methyl-piperazin-1-yl)-phenylamine | 4-(4-Methylpiperazin

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504760080
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760080
• Canonical Smiles: CN1CCN(CC1)C2=CC=C(C=C2)N
• IUPAC Name: 4-(4-methylpiperazin-1-yl)aniline
• InChIKey: MOZNZNKHRXRLLF-UHFFFAOYSA-N
• INCHI: 1S/C11H17N3/c1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11/h2-5H,6-9,12H2,1H3
• Isomeric SMILES: CN1CCN(CC1)C2=CC=C(C=C2)N
• Molecular Weight: 191.27
• Beilstein: 23(5)1,386
• Reaxy-Rn: 158629
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=158629&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Dialkylarylamines Aniline and substituted anilines N-methylpiperazines Trialkylamines Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - N-alkylpiperazine - N-methylpiperazine - Benzenoid - Monocyclic benzene moiety - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organopnictogen compound - Amine - Primary amine - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

ESR2 Tclin Estrogen receptor beta (9272 Activities)

Discover Target: ESR2

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ADRA2C Tclin Alpha-2c adrenergic receptor (4876 Activities)

Discover Target: ADRA2C

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SSTR4 Tclin Somatostatin receptor 4 (1125 Activities)

Discover Target: SSTR4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GAA Tclin Lysosomal alpha-glucosidase (35701 Activities)

Discover Target: GAA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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FEN1 Tchem Flap endonuclease 1 (12055 Activities)

Discover Target: FEN1

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GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

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PTK2B Tclin Protein tyrosine kinase 2 beta (2827 Activities)

Discover Target: PTK2B

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KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

Discover Target: KDM4A

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

Discover Target: KDM4E

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SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

Discover Target: SMAD3

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KMT2A Tchem Histone-lysine N-methyltransferase MLL (17327 Activities)

Discover Target: KMT2A

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MBNL1 Tbio Muscleblind-like protein 1 (34431 Activities)

Discover Target: MBNL1

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GFER Tchem FAD-linked sulfhydryl oxidase ALR (1466 Activities)

Discover Target: GFER

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BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)

Discover Target: BAZ2B

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RGS4 Tchem Regulator of G-protein signaling 4 (13867 Activities)

Discover Target: RGS4

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CHRNB2 Tclin Neuronal acetylcholine receptor; alpha4/beta2 (3972 Activities)

Discover Target: CHRNB2

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RAD54L Tbio DNA repair and recombination protein RAD54-like (409 Activities)

Discover Target: RAD54L

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GLS Tchem Glutaminase kidney isoform, mitochondrial (16997 Activities)

Discover Target: GLS

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RACGAP1 Tbio Rac GTPase-activating protein 1 (2057 Activities)

Discover Target: RACGAP1

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Associated Targets(non-human)

Mapt Microtubule-associated protein tau (6 Activities)

Discover Target: Mapt

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Impa1 Inositol monophosphatase 1 (16203 Activities)

Discover Target: Impa1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NS1 Nonstructural protein 1 (33327 Activities)

Discover Target: NS1

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Sensitivity: Air Sensitive
• Boil Point(°C): 180°C/5mmHg
• Melt Point(°C): 91°C
• Molecular Weight: 191.270 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 191.142 Da
• Monoisotopic Mass: 191.142 Da
• Topological Polar Surface Area: 32.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 167.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1