tert-butyl 4-[(dimethylcarbamoyl)methyl]piperidine-1-carboxylate

• ChemBase编号: 248932
• 分子式: C14H26N2O3
• 平均质量: 270.36784
• 单一同位素质量: 270.1943427
• SMILES: C(=O)(N1CCC(CC(=O)N(C)C)CC1)OC(C)(C)C
• Canonical SMILES: O=C(N(C)C)CC1CCN(CC1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C14H26N2O3/c1-14(2,3)19-13(18)16-8-6-11(7-9-16)10-12(17)15(4)5/h11H,6-10H2,1-5H3
• InChIKey: MSUGPNQSGVJWMT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tert-butyl 4-[(dimethylcarbamoyl)methyl]piperidine-1-carboxylate
• IUPAC传统名: tert-butyl 4-[(dimethylcarbamoyl)methyl]piperidine-1-carboxylate
• 别名: tert-butyl 4-[(dimethylcarbamoyl)methyl]piperidine-1-carboxylate

登记号

• PubChem SID: 164304842
• PubChem CID: 52775546

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.9924337
• LogD (pH = 7.4): 0.99243623
• Log P: 0.99243623
• 摩尔折射率: 74.2611 cm^3
• 极化性: 28.917408 Å^3
• 极化表面积: 49.85 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 1.362

产品相关信息

• 纯度: 95%