{2-[(4-methylpiperidin-1-yl)methyl]phenyl}methanol

• ChemBase编号: 306512
• 分子式: C14H21NO
• 平均质量: 219.32264
• 单一同位素质量: 219.1623143
• SMILES: N1(Cc2c(CO)cccc2)CCC(CC1)C
• Canonical SMILES: OCc1ccccc1CN1CCC(CC1)C
• InChI: InChI=1S/C14H21NO/c1-12-6-8-15(9-7-12)10-13-4-2-3-5-14(13)11-16/h2-5,12,16H,6-11H2,1H3
• InChIKey: IOAGTZPXEQXRAW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {2-[(4-methylpiperidin-1-yl)methyl]phenyl}methanol
• IUPAC传统名: {2-[(4-methylpiperidin-1-yl)methyl]phenyl}methanol
• 别名: {2-[(4-methylpiperidin-1-yl)methyl]phenyl}methanol

登记号

• MDL号: MFCD03211260

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -0.9585067
• LogD (pH = 7.4): 0.5911291
• Log P: 2.284678
• 摩尔折射率: 68.1072 cm^3
• 极化性: 26.494133 Å^3
• 极化表面积: 23.47 Å^2