[(1-cyclopentylpiperidin-4-yl)methyl](pyridin-3-ylmethyl)amine trihydrochloride

• ChemBase编号: 15831
• 分子式: C17H30Cl3N3
• 平均质量: 382.7992
• 单一同位素质量: 381.15053102
• SMILES: C1(CCN(CC1)C1CCCC1)CNCc1cnccc1.Cl.Cl.Cl
• Canonical SMILES: C1CCC(C1)N1CCC(CC1)CNCc1cccnc1.Cl.Cl.Cl
• InChI: InChI=1S/C17H27N3.3ClH/c1-2-6-17(5-1)20-10-7-15(8-11-20)12-19-14-16-4-3-9-18-13-16;;;/h3-4,9,13,15,17,19H,1-2,5-8,10-12,14H2;3*1H
• InChIKey: RIRGUOHDCANNNI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [(1-cyclopentylpiperidin-4-yl)methyl](pyridin-3-ylmethyl)amine trihydrochloride
• IUPAC传统名: [(1-cyclopentylpiperidin-4-yl)methyl](pyridin-3-ylmethyl)amine trihydrochloride
• 别名: [(1-Cyclopentylpiperidin-4-yl)methyl]-(pyridin-3-ylmethyl)amine trihydrochloride

登记号

• MDL号: MFCD06800493
• PubChem SID: 160979138
• PubChem CID: 45075076

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -4.4234
• LogD (pH = 7.4): -2.4895332
• Log P: 2.156031
• 摩尔折射率: 83.8314 cm^3
• 极化性: 33.15504 Å^3
• 极化表面积: 28.16 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: IRRITANT
• TSCA收录: false