1-(morpholin-4-yl)-2-(piperazin-1-yl)propan-1-one dihydrochloride

• ChemBase编号: 270454
• 分子式: C11H23Cl2N3O2
• 平均质量: 300.22522
• 单一同位素质量: 299.11673235
• SMILES: C(=O)(N1CCOCC1)C(N1CCNCC1)C.Cl.Cl
• Canonical SMILES: CC(C(=O)N1CCOCC1)N1CCNCC1.Cl.Cl
• InChI: InChI=1S/C11H21N3O2.2ClH/c1-10(13-4-2-12-3-5-13)11(15)14-6-8-16-9-7-14;;/h10,12H,2-9H2,1H3;2*1H
• InChIKey: RSINAHBERGLYPN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(morpholin-4-yl)-2-(piperazin-1-yl)propan-1-one dihydrochloride
• IUPAC传统名: 1-(morpholin-4-yl)-2-(piperazin-1-yl)propan-1-one dihydrochloride
• 别名: 1-(morpholin-4-yl)-2-(piperazin-1-yl)propan-1-one dihydrochloride

登记号

• MDL号: MFCD17480393
• PubChem SID: 164326364
• PubChem CID: 50988307

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -3.9100568
• LogD (pH = 7.4): -2.4067147
• Log P: -0.87710226
• 摩尔折射率: 62.0121 cm^3
• 极化性: 24.498173 Å^3
• 极化表面积: 44.81 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

• 疏水性(logP): -0.911

产品相关信息

• 纯度: 95%