methyl 3-methylpiperidine-3-carboxylate

• ChemBase编号: 309566
• 分子式: C8H15NO2
• 平均质量: 157.2102
• 单一同位素质量: 157.11027873
• SMILES: C1(C(=O)OC)(CNCCC1)C
• Canonical SMILES: COC(=O)C1(C)CCCNC1
• InChI: InChI=1S/C8H15NO2/c1-8(7(10)11-2)4-3-5-9-6-8/h9H,3-6H2,1-2H3
• InChIKey: QWGSXOQEGUGWMA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl 3-methylpiperidine-3-carboxylate
• IUPAC传统名: methyl 3-methylpiperidine-3-carboxylate
• 别名: methyl 3-methyl-3-piperidinecarboxylate

登记号

• MDL号: MFCD11045408

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -2.4199548
• LogD (pH = 7.4): -1.2537214
• Log P: 0.738048
• 摩尔折射率: 42.1914 cm^3
• 极化性: 17.03371 Å^3
• 极化表面积: 38.33 Å^2