1-(2,6-dimethylpyridin-4-yl)piperazine

• ChemBase编号: 306888
• 分子式: C11H17N3
• 平均质量: 191.27278
• 单一同位素质量: 191.14224756
• SMILES: c1(N2CCNCC2)cc(nc(c1)C)C
• Canonical SMILES: Cc1cc(cc(n1)C)N1CCNCC1
• InChI: InChI=1S/C11H17N3/c1-9-7-11(8-10(2)13-9)14-5-3-12-4-6-14/h7-8,12H,3-6H2,1-2H3
• InChIKey: BCANMDDAARPKKQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(2,6-dimethylpyridin-4-yl)piperazine
• IUPAC传统名: 1-(2,6-dimethylpyridin-4-yl)piperazine
• 别名: 1-(2,6-dimethylpyridin-4-yl)piperazine

登记号

• CAS号: 166954-07-0
• MDL号: MFCD09055259

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -4.2976184
• LogD (pH = 7.4): -2.4487085
• Log P: 0.59042925
• 摩尔折射率: 58.2681 cm^3
• 极化性: 22.263212 Å^3
• 极化表面积: 28.16 Å^2