1-(piperidin-1-yl)cyclohexane-1-carboxylic acid

• ChemBase编号: 310526
• 分子式: C12H21NO2
• 平均质量: 211.30064
• 单一同位素质量: 211.15722892
• SMILES: C1(N2CCCCC2)(C(=O)O)CCCCC1
• Canonical SMILES: OC(=O)C1(CCCCC1)N1CCCCC1
• InChI: InChI=1S/C12H21NO2/c14-11(15)12(7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H2,(H,14,15)
• InChIKey: OOEYLDSNYUXWGT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(piperidin-1-yl)cyclohexane-1-carboxylic acid
• IUPAC传统名: 1-(piperidin-1-yl)cyclohexane-1-carboxylic acid
• 别名: 1-piperidin-1-ylcyclohexanecarboxylic acid

登记号

• MDL号: MFCD05230543

理论计算性质

• 极化性: 23.412664 Å^3
• 极化表面积: 40.54 Å^2
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -0.18497293
• LogD (pH = 7.4): -0.18492398
• Log P: -0.18489352
• 摩尔折射率: 59.2687 cm^3