ethyl 1-(piperidin-4-yl)piperidine-4-carboxylate

• ChemBase编号: 310348
• 分子式: C13H24N2O2
• 平均质量: 240.34186
• 单一同位素质量: 240.18377802
• SMILES: N1(CCC(C(=O)OCC)CC1)C1CCNCC1
• Canonical SMILES: CCOC(=O)C1CCN(CC1)C1CCNCC1
• InChI: InChI=1S/C13H24N2O2/c1-2-17-13(16)11-5-9-15(10-6-11)12-3-7-14-8-4-12/h11-12,14H,2-10H2,1H3
• InChIKey: MAEZHBHHHAZLBM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 1-(piperidin-4-yl)piperidine-4-carboxylate
• IUPAC传统名: ethyl 1-(piperidin-4-yl)piperidine-4-carboxylate
• 别名: ethyl 1,4'-bipiperidine-4-carboxylate

登记号

• CAS号: 344779-08-4
• MDL号: MFCD05864534

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -4.762671
• LogD (pH = 7.4): -2.6368022
• Log P: 0.4097403
• 摩尔折射率: 68.0441 cm^3
• 极化性: 27.033255 Å^3
• 极化表面积: 41.57 Å^2