1-methyl-4-(piperazine-1-carbonyl)piperazine dihydrochloride

• ChemBase编号: 270635
• 分子式: C10H22Cl2N4O
• 平均质量: 285.21388
• 单一同位素质量: 284.1170667
• SMILES: C(=O)(N1CCN(CC1)C)N1CCNCC1.Cl.Cl
• Canonical SMILES: CN1CCN(CC1)C(=O)N1CCNCC1.Cl.Cl
• InChI: InChI=1S/C10H20N4O.2ClH/c1-12-6-8-14(9-7-12)10(15)13-4-2-11-3-5-13;;/h11H,2-9H2,1H3;2*1H
• InChIKey: WIBQZNVONIQOLQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-methyl-4-(piperazine-1-carbonyl)piperazine dihydrochloride
• IUPAC传统名: 1-methyl-4-(piperazine-1-carbonyl)piperazine dihydrochloride
• 别名: 1-methyl-4-[(piperazin-1-yl)carbonyl]piperazine dihydrochloride

登记号

• MDL号: MFCD18089380
• PubChem SID: 164326545
• PubChem CID: 50988369

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -4.8407097
• LogD (pH = 7.4): -1.8346044
• Log P: -1.1579384
• 摩尔折射率: 59.5349 cm^3
• 极化性: 23.095669 Å^3
• 极化表面积: 38.82 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 1.005

产品相关信息

• 纯度: 95%