4-[1-(piperidin-4-yl)ethyl]morpholine

• ChemBase编号: 306801
• 分子式: C11H22N2O
• 平均质量: 198.30518
• 单一同位素质量: 198.17321333
• SMILES: N1(C(C2CCNCC2)C)CCOCC1
• Canonical SMILES: CC(N1CCOCC1)C1CCNCC1
• InChI: InChI=1S/C11H22N2O/c1-10(11-2-4-12-5-3-11)13-6-8-14-9-7-13/h10-12H,2-9H2,1H3
• InChIKey: GUDPYLAMWCTVNN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-[1-(piperidin-4-yl)ethyl]morpholine
• IUPAC传统名: 4-[1-(piperidin-4-yl)ethyl]morpholine
• 别名: 4-(1-piperidin-4-ylethyl)morpholine

登记号

• MDL号: MFCD09055237

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -5.648361
• LogD (pH = 7.4): -3.4456427
• Log P: 0.49260297
• 摩尔折射率: 58.4558 cm^3
• 极化性: 23.27968 Å^3
• 极化表面积: 24.5 Å^2