{[1-(2-methoxyethyl)piperidin-4-yl]methyl}(methyl)amine

• ChemBase编号: 306946
• 分子式: C10H22N2O
• 平均质量: 186.29448
• 单一同位素质量: 186.17321333
• SMILES: N1(CCC(CC1)CNC)CCOC
• Canonical SMILES: CNCC1CCN(CC1)CCOC
• InChI: InChI=1S/C10H22N2O/c1-11-9-10-3-5-12(6-4-10)7-8-13-2/h10-11H,3-9H2,1-2H3
• InChIKey: NNSYLBINUCUDMD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {[1-(2-methoxyethyl)piperidin-4-yl]methyl}(methyl)amine
• IUPAC传统名: {[1-(2-methoxyethyl)piperidin-4-yl]methyl}(methyl)amine
• 别名: 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-methylmethanamine

登记号

• CAS号: 938458-98-1
• MDL号: MFCD09055269

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -6.2776165
• LogD (pH = 7.4): -4.5022707
• Log P: 0.2475529
• 摩尔折射率: 56.006 cm^3
• 极化性: 22.168617 Å^3
• 极化表面积: 24.5 Å^2