(1-methyl-4-phenylpiperidin-4-yl)methanamine

• ChemBase编号: 306966
• 分子式: C13H20N2
• 平均质量: 204.3113
• 单一同位素质量: 204.16264865
• SMILES: C1(CCN(CC1)C)(c1ccccc1)CN
• Canonical SMILES: NCC1(CCN(CC1)C)c1ccccc1
• InChI: InChI=1S/C13H20N2/c1-15-9-7-13(11-14,8-10-15)12-5-3-2-4-6-12/h2-6H,7-11,14H2,1H3
• InChIKey: WHJANSWOSODZBT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (1-methyl-4-phenylpiperidin-4-yl)methanamine
• IUPAC传统名: (1-methyl-4-phenylpiperidin-4-yl)methanamine
• 别名: 1-(1-methyl-4-phenylpiperidin-4-yl)methanamine

登记号

• CAS号: 1859-37-6
• MDL号: MFCD06662284

理论计算性质

• 摩尔折射率: 64.681 cm^3
• 极化性: 25.519917 Å^3
• 极化表面积: 29.26 Å^2
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -4.9147954
• LogD (pH = 7.4): -2.4934428
• Log P: 1.3737528