1-({2-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}methyl)piperazine

• ChemBase编号: 242185
• 分子式: C13H22N4
• 平均质量: 234.34058
• 单一同位素质量: 234.18444672
• SMILES: c1(n2c(nc1C)CCCC2)CN1CCNCC1
• Canonical SMILES: Cc1nc2n(c1CN1CCNCC1)CCCC2
• InChI: InChI=1S/C13H22N4/c1-11-12(10-16-8-5-14-6-9-16)17-7-3-2-4-13(17)15-11/h14H,2-10H2,1H3
• InChIKey: WXMHQTNASCFIJE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-({2-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}methyl)piperazine
• IUPAC传统名: 1-({2-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}methyl)piperazine
• 别名: 1-({2-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}methyl)piperazine

登记号

• MDL号: MFCD23143985
• PubChem SID: 164298095
• PubChem CID: 71695456

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -3.8556762
• LogD (pH = 7.4): -1.5656759
• Log P: 0.32992792
• 摩尔折射率: 69.6136 cm^3
• 极化性: 26.915876 Å^3
• 极化表面积: 33.09 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 111 - 113°C
• 疏水性(logP): 0.782

产品相关信息

• 纯度: 95%