N-(2-phenylethyl)piperidine-4-carboxamide dihydrochloride

• ChemBase编号: 310327
• 分子式: C14H22Cl2N2O
• 平均质量: 305.24328
• 单一同位素质量: 304.11091869
• SMILES: C(=O)(NCCc1ccccc1)C1CCNCC1.Cl.Cl
• Canonical SMILES: O=C(C1CCNCC1)NCCc1ccccc1.Cl.Cl
• InChI: InChI=1S/C14H20N2O.2ClH/c17-14(13-7-9-15-10-8-13)16-11-6-12-4-2-1-3-5-12;;/h1-5,13,15H,6-11H2,(H,16,17);2*1H
• InChIKey: YYNHAJGRHGXLEX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2-phenylethyl)piperidine-4-carboxamide dihydrochloride
• IUPAC传统名: N-(2-phenylethyl)piperidine-4-carboxamide dihydrochloride
• 别名: N-(2-phenylethyl)-4-piperidinecarboxamide dihydrochloride

理论计算性质

• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -1.9158715
• LogD (pH = 7.4): -1.331444
• Log P: 1.3101
• 摩尔折射率: 69.1618 cm^3
• 极化性: 27.07422 Å^3
• 极化表面积: 41.13 Å^2