2-[2-(1-methyl-1H-imidazol-2-yl)ethyl]piperidine

• ChemBase编号: 306954
• 分子式: C11H19N3
• 平均质量: 193.28866
• 单一同位素质量: 193.15789762
• SMILES: c1(n(ccn1)C)CCC1NCCCC1
• Canonical SMILES: Cn1ccnc1CCC1CCCCN1
• InChI: InChI=1S/C11H19N3/c1-14-9-8-13-11(14)6-5-10-4-2-3-7-12-10/h8-10,12H,2-7H2,1H3
• InChIKey: UGZHKOHMLHYYQC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[2-(1-methyl-1H-imidazol-2-yl)ethyl]piperidine
• IUPAC传统名: 2-[2-(1-methylimidazol-2-yl)ethyl]piperidine
• 别名: 2-[2-(1-methyl-1H-imidazol-2-yl)ethyl]piperidine

登记号

• MDL号: MFCD09971163

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -3.022462
• LogD (pH = 7.4): -1.7025406
• Log P: 1.1457742
• 摩尔折射率: 57.7511 cm^3
• 极化性: 22.515919 Å^3
• 极化表面积: 29.85 Å^2