2-(3,3-diphenylpiperidine-1-carbonyl)-6-methylpyridine

• ChemBase编号: 401654
• 分子式: C24H24N2O
• 平均质量: 356.46016
• 单一同位素质量: 356.1888634
• SMILES: N1(C(=O)c2nc(ccc2)C)CC(c2ccccc2)(c2ccccc2)CCC1
• Canonical SMILES: Cc1cccc(n1)C(=O)N1CCCC(C1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C24H24N2O/c1-19-10-8-15-22(25-19)23(27)26-17-9-16-24(18-26,20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-8,10-15H,9,16-18H2,1H3
• InChIKey: FQLFNVYTYIELPC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(3,3-diphenylpiperidine-1-carbonyl)-6-methylpyridine
• IUPAC传统名: 2-(3,3-diphenylpiperidine-1-carbonyl)-6-methylpyridine
• 别名: 2-[(3,3-diphenylpiperidin-1-yl)carbonyl]-6-methylpyridine

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.4316463
• LogD (pH = 7.4): 4.431733
• Log P: 4.431734
• 摩尔折射率: 118.6885 cm^3
• 极化性: 41.73297 Å^3
• 极化表面积: 33.2 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 2
• 质子供体: 0
• Log P: 4.05
• LOG S: -5.97
• 极化表面积: 33.2 Å^2
• 可自由旋转的化学键: 3