{2-[2-(1-cyclohexanecarbonylpiperidin-3-yl)-1H-imidazol-1-yl]ethyl}dimethylamine

• ChemBase编号: 601951
• 分子式: C19H32N4O
• 平均质量: 332.48358
• 单一同位素质量: 332.25761166
• SMILES: c1(C2CN(C(=O)C3CCCCC3)CCC2)n(ccn1)CCN(C)C
• Canonical SMILES: CN(CCn1ccnc1C1CCCN(C1)C(=O)C1CCCCC1)C
• InChI: InChI=1S/C19H32N4O/c1-21(2)13-14-22-12-10-20-18(22)17-9-6-11-23(15-17)19(24)16-7-4-3-5-8-16/h10,12,16-17H,3-9,11,13-15H2,1-2H3
• InChIKey: QQYCFBBNSKPXLU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {2-[2-(1-cyclohexanecarbonylpiperidin-3-yl)-1H-imidazol-1-yl]ethyl}dimethylamine
• IUPAC传统名: {2-[2-(1-cyclohexanecarbonylpiperidin-3-yl)imidazol-1-yl]ethyl}dimethylamine
• 别名: (2-{2-[1-(cyclohexylcarbonyl)piperidin-3-yl]-1H-imidazol-1-yl}ethyl)dimethylamine

理论计算性质

Provided by Chembridge

• 极化表面积: 41.37 Å^2
• 可自由旋转的化学键: 5
• 质子受体: 3
• 质子供体: 0
• Log P: 2.13
• LOG S: -3.44

JChem

• 可自由旋转的化学键: 5
• 里宾斯基五规则: true
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -1.2816938
• LogD (pH = 7.4): 0.6737816
• Log P: 2.203091
• 摩尔折射率: 97.415 cm^3
• 极化性: 37.80187 Å^3
• 极化表面积: 41.37 Å^2