4-(4'-Bromophenyl)-4-hydroxypiperidine - ≥98% , CAS No.57988-58-6

CAS: 57988-58-6 Cat. No.: B152081 Molecular Weight: 256.14 EC Number: 261-065-0

GRADE & PURITY ≥98%

Synonyms

Methyl (E)-2-hexenoate | 11-Octadecenoic acid, methyl ester | SMR000036934 | 4-(4-bromo-phenyl)-piperidin-4-ol | 4-(4-bromophenyl)-piperidin-4-ol | 4-(4-Bromophenyl)piperidin-4-ol | 4-(4-bromphenyl)-4-hydroxypiperidine | Erucic acid-methyl ester | FT-0616

Storage

Room temperature

Shipped In

Normal

Overview

product description：

4-(4-Bromophenyl)-4-piperidinol is reported to show potential antioxidant activity. Analgesic effects of 4-(4-bromophenyl)-4-piperidinol in mice has been studied using a tail immersion assay.

Specifications

Synonyms

Methyl (E)-2-hexenoate | 11-Octadecenoic acid, methyl ester | SMR000036934 | 4-(4-bromo-phenyl)-piperidin-4-ol | 4-(4-bromophenyl)-piperidin-4-ol | 4-(4-Bromophenyl)piperidin-4-ol | 4-(4-bromphenyl)-4-hydroxypiperidine | Erucic acid-methyl ester | FT-0616

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488186802
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186802
• Canonical Smiles: C1CNCCC1(C2=CC=C(C=C2)Br)O
• IUPAC Name: 4-(4-bromophenyl)piperidin-4-ol
• InChIKey: QNLXJYQUWCNYBH-UHFFFAOYSA-N
• INCHI: 1S/C11H14BrNO/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11/h1-4,13-14H,5-8H2
• Isomeric SMILES: C1CNCCC1(C2=CC=C(C=C2)Br)O
• WGK Germany: 3
• Molecular Weight: 256.14
• Reaxy-Rn: 8550701
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8550701&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Piperidines
      • Subclass Phenylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Phenylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperidines
• Alternative Parents: Bromobenzenes Aralkylamines Aryl bromides Tertiary alcohols Dialkylamines Azacyclic compounds Organopnictogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperidine - Bromobenzene - Halobenzene - Aralkylamine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary alcohol - Secondary amine - Secondary aliphatic amine - Azacycle - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Alcohol - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine 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)

PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

Discover Target: PTH1R

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

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

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

HepG2 (196354 Activities)

Explore this target

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

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

Discover Target: SMAD3

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

Associated Targets(non-human)

TGR Thioredoxin glutathione reductase (28579 Activities)

Discover Target: TGR

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

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 167-170℃
• Molecular Weight: 256.140 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 255.026 Da
• Monoisotopic Mass: 255.026 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 184.000
• 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