methyl 2-methylpiperidine-2-carboxylate

• ChemBase编号: 309796
• 分子式: C8H15NO2
• 平均质量: 157.2102
• 单一同位素质量: 157.11027873
• SMILES: C(=O)(C1(NCCCC1)C)OC
• Canonical SMILES: COC(=O)C1(C)CCCCN1
• InChI: InChI=1S/C8H15NO2/c1-8(7(10)11-2)5-3-4-6-9-8/h9H,3-6H2,1-2H3
• InChIKey: ZAPUGMTZFAFQMT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl 2-methylpiperidine-2-carboxylate
• IUPAC传统名: methyl 2-methylpiperidine-2-carboxylate
• 别名: methyl 2-methyl-2-piperidinecarboxylate

登记号

• CAS号: 89115-93-5
• MDL号: MFCD13179033

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -0.23677403
• LogD (pH = 7.4): 0.857196
• Log P: 0.9260872
• 摩尔折射率: 42.1477 cm^3
• 极化性: 17.03371 Å^3
• 极化表面积: 38.33 Å^2