butyl 4-[N-(benzyloxy)formamido]-4-methylpiperidine-1-carboxylate

• ChemBase编号: 813359
• 分子式: C19H28N2O4
• 平均质量: 348.43662
• 单一同位素质量: 348.20490739
• SMILES: C1(CCN(CC1)C(=O)OCCCC)(C)N(C=O)OCc1ccccc1
• Canonical SMILES: CCCCOC(=O)N1CCC(CC1)(C)N(OCc1ccccc1)C=O
• InChI: InChI=1S/C19H28N2O4/c1-3-4-14-24-18(23)20-12-10-19(2,11-13-20)21(16-22)25-15-17-8-6-5-7-9-17/h5-9,16H,3-4,10-15H2,1-2H3
• InChIKey: ZUBKWBIAGXPTHX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: butyl 4-[N-(benzyloxy)formamido]-4-methylpiperidine-1-carboxylate
• IUPAC传统名: butyl 4-[N-(benzyloxy)formamido]-4-methylpiperidine-1-carboxylate
• 别名: 4-BENZYLOXY-CARBONYL-AMINO-1-N-BUTOXY-CARBONYL-4-METHYL PIPERIDINE

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.7214084
• LogD (pH = 7.4): 2.7214084
• Log P: 2.7214084
• 摩尔折射率: 95.5893 cm^3
• 极化性: 37.35012 Å^3
• 极化表面积: 59.08 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

• 纯度: 98%