piperidin-1-amine hydrochloride

• ChemBase ID: 160434
• Molecular Formular: C5H13ClN2
• Molecular Mass: 136.62312
• Monoisotopic Mass: 136.07672611
• SMILES: N1(CCCCC1)N.Cl
• Canonical SMILES: NN1CCCCC1.Cl
• InChI: InChI=1S/C5H12N2.ClH/c6-7-4-2-1-3-5-7;/h1-6H2;1H
• InChIKey: ZTNLXZOJUZAGRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperidin-1-amine hydrochloride
• IUPAC Traditional name: N-aminopiperidine hydrochloride
• Synonyms: 1-Piperidinamine Hydrochloride; 1-Piperidinamine Monohydrochloride; N-Aminopiperidine Hydrochloride; 1-Aminopiperidine Hydrochloride; 1-Aminopiperidine hydrochloride; piperidin-1-amine hydrochloride; 1-氨基哌啶盐酸盐

Database IDs

• CAS Number: 63234-70-8
• MDL Number: MFCD01701508
• PubChem SID: 162254569
• PubChem CID: 148996

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.66642547
• LogD (pH = 7.4): -0.036162924
• Log P: -0.017654063
• Molar Refractivity: 31.3195 cm^3
• Polarizability: 12.067715 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 146-151°C
• Hydrophobicity(logP): -0.225

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%; 97%

DETAILS

Toronto Research Chemicals - A627915

1-Aminopiperidine is a metabolite (M1) of the canabinoid receptor 1 antagonist Rimonabant (R517800), an antiobesity agent.

REFERENCES

• Hillard, C., et al.: J. Neurochem., 69, 631 (1997)
• Bisogno, T., et al.: J. Biol. Chem., 272, 3315 (1997)
• Di Marzo, V., et al.: Life Sci., 65, 645 (1997)
• Goutopoulos, A., et al.: Bioorg. Med. Chem., 9, 1673 (1997)