(2H10)piperidin-1-amine hydrochloride

• ChemBase ID: 160435
• Molecular Formular: C5H13ClN2
• Molecular Mass: 136.62312
• Monoisotopic Mass: 136.07672611
• SMILES: Cl.NN1CCCCC1
• 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: (^2H₁₀)piperidin-1-amine hydrochloride
• IUPAC Traditional name: (^2H₁₀)piperidin-1-amine hydrochloride
• Synonyms: 1-Piperidinamine-d10 Hydrochloride; 1-Piperidinamine-d10 Monohydrochloride; N-Aminopiperidine-d10 Hydrochloride; 1-Aminopiperidine-d10 Hydrochloride

Database IDs

• PubChem SID: 162254570
• PubChem CID: 71313341

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.66600907
• LogD (pH = 7.4): -0.03616264
• 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

DETAILS

Toronto Research Chemicals - A627917

Labelled 1-Aminopiperidine (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)