tert-butyl 4-(dibenzylamino)-4-methylpiperidine-1-carboxylate

• ChemBase编号: 812675
• 分子式: C25H34N2O2
• 平均质量: 394.54966
• 单一同位素质量: 394.26202834
• SMILES: C1(CCN(CC1)C(=O)OC(C)(C)C)(N(Cc1ccccc1)Cc1ccccc1)C
• Canonical SMILES: O=C(N1CCC(CC1)(C)N(Cc1ccccc1)Cc1ccccc1)OC(C)(C)C
• InChI: InChI=1S/C25H34N2O2/c1-24(2,3)29-23(28)26-17-15-25(4,16-18-26)27(19-21-11-7-5-8-12-21)20-22-13-9-6-10-14-22/h5-14H,15-20H2,1-4H3
• InChIKey: FORYNCIWSMRLAW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tert-butyl 4-(dibenzylamino)-4-methylpiperidine-1-carboxylate
• IUPAC传统名: tert-butyl 4-(dibenzylamino)-4-methylpiperidine-1-carboxylate
• 别名: 1-TERT-BUTYLOXYCARBONYL-4-METHYL-4-N-DIBENZYLAMINO-PIPERIDINE

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.4334365
• LogD (pH = 7.4): 2.6190522
• Log P: 4.8466434
• 摩尔折射率: 119.003 cm^3
• 极化性: 46.586227 Å^3
• 极化表面积: 32.78 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 98%