tert-butyl 4-{[methoxy(methyl)carbamoyl]methyl}piperidine-1-carboxylate

• ChemBase编号: 808995
• 分子式: C14H26N2O4
• 平均质量: 286.36724
• 单一同位素质量: 286.18925732
• SMILES: C1(CCN(CC1)C(=O)OC(C)(C)C)CC(=O)N(C)OC
• Canonical SMILES: CON(C(=O)CC1CCN(CC1)C(=O)OC(C)(C)C)C
• InChI: InChI=1S/C14H26N2O4/c1-14(2,3)20-13(18)16-8-6-11(7-9-16)10-12(17)15(4)19-5/h11H,6-10H2,1-5H3
• InChIKey: VOUMNMSUVOACEZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tert-butyl 4-{[methoxy(methyl)carbamoyl]methyl}piperidine-1-carboxylate
• IUPAC传统名: tert-butyl 4-{[methoxy(methyl)carbamoyl]methyl}piperidine-1-carboxylate
• 别名: 1-BOC-4-[(N-METHOXY-N-METHYLCARBAMOYL)METHYL]PIPERIDINE

登记号

• CAS号: 416852-69-2

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.1435392
• LogD (pH = 7.4): 1.1435392
• Log P: 1.1435392
• 摩尔折射率: 75.6113 cm^3
• 极化性: 29.641026 Å^3
• 极化表面积: 59.08 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 98%