(2H10)piperidin-1-amine hydrochloride

• ChemBase编号: 160435
• 分子式: C5H13ClN2
• 平均质量: 136.62312
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: (^2H₁₀)piperidin-1-amine hydrochloride
• IUPAC传统名: (^2H₁₀)piperidin-1-amine hydrochloride
• 别名: 1-Piperidinamine-d10 Hydrochloride; 1-Piperidinamine-d10 Monohydrochloride; N-Aminopiperidine-d10 Hydrochloride; 1-Aminopiperidine-d10 Hydrochloride

登记号

• PubChem SID: 162254570
• PubChem CID: 71313341

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -0.66600907
• LogD (pH = 7.4): -0.03616264
• Log P: -0.017654063
• 摩尔折射率: 31.3195 cm^3
• 极化性: 12.067715 Å^3
• 极化表面积: 29.26 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

详细说明

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.

参考文献

• 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)