dimethyl({[4-(piperidin-2-yl)phenyl]methyl})amine

• ChemBase编号: 306582
• 分子式: C14H22N2
• 平均质量: 218.33788
• 单一同位素质量: 218.17829871
• SMILES: N1C(c2ccc(CN(C)C)cc2)CCCC1
• Canonical SMILES: CN(Cc1ccc(cc1)C1CCCCN1)C
• InChI: InChI=1S/C14H22N2/c1-16(2)11-12-6-8-13(9-7-12)14-5-3-4-10-15-14/h6-9,14-15H,3-5,10-11H2,1-2H3
• InChIKey: LKYXWYHLHCVKNO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: dimethyl({[4-(piperidin-2-yl)phenyl]methyl})amine
• IUPAC传统名: dimethyl({[4-(piperidin-2-yl)phenyl]methyl})amine
• 别名: N,N-dimethyl-1-(4-piperidin-2-ylphenyl)methanamine; N,N-dimethyl-1-[4-(2-piperidinyl)phenyl]methanamine

登记号

• MDL号: MFCD09864210

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -3.9411683
• LogD (pH = 7.4): -1.3589661
• Log P: 2.3831246
• 摩尔折射率: 69.6609 cm^3
• 极化性: 27.441658 Å^3
• 极化表面积: 15.27 Å^2