[(3,4-dimethoxyphenyl)methyl](methyl)[2-(1,2,5-trimethyl-4-phenylpiperidin-4-yl)ethyl]amine dihydrochloride

• ChemBase编号: 186003
• 分子式: C26H40Cl2N2O2
• 平均质量: 483.514
• 单一同位素质量: 482.24668389
• SMILES: C1(CC(N(CC1C)C)C)(CCN(Cc1cc(c(cc1)OC)OC)C)c1ccccc1.Cl.Cl
• Canonical SMILES: COc1cc(ccc1OC)CN(CCC1(CC(C)N(CC1C)C)c1ccccc1)C.Cl.Cl
• InChI: InChI=1S/C26H38N2O2.2ClH/c1-20-18-28(4)21(2)17-26(20,23-10-8-7-9-11-23)14-15-27(3)19-22-12-13-24(29-5)25(16-22)30-6;;/h7-13,16,20-21H,14-15,17-19H2,1-6H3;2*1H
• InChIKey: LGHYGYOQSAJLLZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [(3,4-dimethoxyphenyl)methyl](methyl)[2-(1,2,5-trimethyl-4-phenylpiperidin-4-yl)ethyl]amine dihydrochloride
• IUPAC传统名: [(3,4-dimethoxyphenyl)methyl](methyl)[2-(1,2,5-trimethyl-4-phenylpiperidin-4-yl)ethyl]amine dihydrochloride

登记号

• PubChem SID: 164241913
• PubChem CID: 52993445

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -1.9110696
• LogD (pH = 7.4): 0.7867398
• Log P: 4.6687207
• 摩尔折射率: 125.9347 cm^3
• 极化性: 49.3485 Å^3
• 极化表面积: 24.94 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

分子性质

产品相关信息

• 成盐信息: 2 HCl
• 简要说明: Diastereomers
• 分类: Derivatives & analogs of Natural Compounds