methyl({2-[2-(piperidin-4-ylmethyl)phenyl]ethyl})amine dihydrochloride

• ChemBase编号: 89224
• 分子式: C15H26Cl2N2
• 平均质量: 305.28634
• 单一同位素质量: 304.1473042
• SMILES: N1CCC(CC1)Cc1ccccc1CCNC.Cl.Cl
• Canonical SMILES: CNCCc1ccccc1CC1CCNCC1.Cl.Cl
• InChI: InChI=1S/C15H24N2.2ClH/c1-16-9-8-14-4-2-3-5-15(14)12-13-6-10-17-11-7-13;;/h2-5,13,16-17H,6-12H2,1H3;2*1H
• InChIKey: GWRHAMGXSNFFDO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl({2-[2-(piperidin-4-ylmethyl)phenyl]ethyl})amine dihydrochloride
• IUPAC传统名: methyl({2-[2-(piperidin-4-ylmethyl)phenyl]ethyl})amine dihydrochloride
• 别名: N-Methyl-2-[2-(4-piperidylmethyl)phenyl]-1-ethanamine, dihydrochloride

登记号

• MDL号: MFCD04066719
• PubChem SID: 162076106
• PubChem CID: 44119557

理论计算性质

• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -4.0861077
• LogD (pH = 7.4): -3.0156593
• Log P: 2.3698895
• 摩尔折射率: 74.083 cm^3
• 极化性: 29.133574 Å^3
• 极化表面积: 24.06 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Hygroscopic