1-(4-Amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine - ≥96% , CAS No.1089279-91-3

CAS: 1089279-91-3 Cat. No.: A586348 Molecular Weight: 249.35 EC Number: 186-142-5

GRADE & PURITY ≥96%

Synonyms

1-[4-amino-3-(methyloxy)phenyl]-N,N-dimethyl-4-piperidinamine | A857246 | 1-(4-amino-3-methoxyphenyl)-N,N-dimethyl-4-Piperidinamine | 1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine | DTXSID10725833 | [1-(4-Amino-3-methoxy-phenyl)-piperidin-4-yl

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

1-[4-amino-3-(methyloxy)phenyl]-N, N-dimethyl-4-piperidinamine | A857246 | 1-(4-amino-3-methoxyphenyl)-N, N-dimethyl-4-Piperidinamine | 1-(4-amino-3-methoxyphenyl)-N, N-dimethylpiperidin-4-amine | DTXSID10725833 | [1-(4-Amino-3-methoxy-phenyl)-piperidin-4-yl

Specifications & Purity

≥96%

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Purity

≥96%

Names and Identifiers

• Canonical Smiles: CN(C)C1CCN(CC1)C2=CC(=C(C=C2)N)OC
• IUPAC Name: 1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine
• InChIKey: STOCRCLYMPKTEC-UHFFFAOYSA-N
• INCHI: 1S/C14H23N3O/c1-16(2)11-6-8-17(9-7-11)12-4-5-13(15)14(10-12)18-3/h4-5,10-11H,6-9,15H2,1-3H3
• Isomeric SMILES: CN(C)C1CCN(CC1)C2=CC(=C(C=C2)N)OC
• Molecular Weight: 249.35
• Reaxy-Rn: 18679842
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18679842&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: Methoxyanilines Aminophenyl ethers Phenoxy compounds Methoxybenzenes Dialkylarylamines Anisoles Aminopiperidines Alkyl aryl ethers Trialkylamines Azacyclic compounds Primary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperidine - Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Phenol ether - Alkyl aryl ether - 4-aminopiperidine - Monocyclic benzene moiety - Benzenoid - Tertiary aliphatic amine - Tertiary amine - Ether - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Primary amine - 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

Chemical and Physical Properties

• Molecular Weight: 249.350 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 249.184 Da
• Monoisotopic Mass: 249.184 Da
• Topological Polar Surface Area: 41.700 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 251.000
• 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