N-methyl-2-(methylamino)-N-(1-methylpiperidin-4-yl)acetamide dihydrochloride

• ChemBase编号: 260464
• 分子式: C10H23Cl2N3O
• 平均质量: 272.21512
• 单一同位素质量: 271.12181773
• SMILES: N(C(=O)CNC)(C1CCN(CC1)C)C.Cl.Cl
• Canonical SMILES: CNCC(=O)N(C1CCN(CC1)C)C.Cl.Cl
• InChI: InChI=1S/C10H21N3O.2ClH/c1-11-8-10(14)13(3)9-4-6-12(2)7-5-9;;/h9,11H,4-8H2,1-3H3;2*1H
• InChIKey: YZUDBERWAFFQRV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-methyl-2-(methylamino)-N-(1-methylpiperidin-4-yl)acetamide dihydrochloride
• IUPAC传统名: N-methyl-2-(methylamino)-N-(1-methylpiperidin-4-yl)acetamide dihydrochloride
• 别名: N-methyl-2-(methylamino)-N-(1-methylpiperidin-4-yl)acetamide dihydrochloride

登记号

• MDL号: MFCD12197217
• PubChem SID: 164316374
• PubChem CID: 45791596

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -6.9445133
• LogD (pH = 7.4): -3.6524923
• Log P: -1.0476795
• 摩尔折射率: 57.8447 cm^3
• 极化性: 22.680025 Å^3
• 极化表面积: 35.58 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): -0.946

产品相关信息

• 纯度: 95%