N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide dihydrochloride

• ChemBase编号: 259510
• 分子式: C13H27Cl2N3O
• 平均质量: 312.27898
• 单一同位素质量: 311.15311786
• SMILES: C(=O)(N(C1CCN(CC1)C)C)C1CCNCC1.Cl.Cl
• Canonical SMILES: CN1CCC(CC1)N(C(=O)C1CCNCC1)C.Cl.Cl
• InChI: InChI=1S/C13H25N3O.2ClH/c1-15-9-5-12(6-10-15)16(2)13(17)11-3-7-14-8-4-11;;/h11-12,14H,3-10H2,1-2H3;2*1H
• InChIKey: FQBZRKDWWFDZHX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide dihydrochloride
• IUPAC传统名: N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide dihydrochloride
• 别名: N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide dihydrochloride

登记号

• MDL号: MFCD11858077
• PubChem SID: 164315420
• PubChem CID: 42943663

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -6.599458
• LogD (pH = 7.4): -4.2744603
• Log P: -0.45255217
• 摩尔折射率: 70.142 cm^3
• 极化性: 27.476744 Å^3
• 极化表面积: 35.58 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): -1.132

产品相关信息

• 纯度: 95%