1-methyl-4-[1-(piperidin-4-yl)ethyl]piperazine

• ChemBase编号: 306802
• 分子式: C12H25N3
• 平均质量: 211.347
• 单一同位素质量: 211.20484782
• SMILES: N1(C(C2CCNCC2)C)CCN(CC1)C
• Canonical SMILES: CN1CCN(CC1)C(C1CCNCC1)C
• InChI: InChI=1S/C12H25N3/c1-11(12-3-5-13-6-4-12)15-9-7-14(2)8-10-15/h11-13H,3-10H2,1-2H3
• InChIKey: DXKLBRRTHOEFKE-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• MDL号: MFCD08059764

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -6.095638
• LogD (pH = 7.4): -4.484433
• Log P: 0.558223
• 摩尔折射率: 65.4314 cm^3
• 极化性: 25.977915 Å^3
• 极化表面积: 18.51 Å^2