1-(9H-fluoren-2-ylmethyl)-N-methylpiperidine-2-carboxamide

• ChemBase编号: 508574
• 分子式: C21H24N2O
• 平均质量: 320.42806
• 单一同位素质量: 320.1888634
• SMILES: N1(C(C(=O)NC)CCCC1)Cc1cc2c(c3c(C2)cccc3)cc1
• Canonical SMILES: CNC(=O)C1CCCCN1Cc1ccc2c(c1)Cc1c2cccc1
• InChI: InChI=1S/C21H24N2O/c1-22-21(24)20-8-4-5-11-23(20)14-15-9-10-19-17(12-15)13-16-6-2-3-7-18(16)19/h2-3,6-7,9-10,12,20H,4-5,8,11,13-14H2,1H3,(H,22,24)
• InChIKey: OVVANPMPBOKASP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(9H-fluoren-2-ylmethyl)-N-methylpiperidine-2-carboxamide
• IUPAC传统名: 1-(9H-fluoren-2-ylmethyl)-N-methylpiperidine-2-carboxamide
• 别名: 1-(9H-fluoren-2-ylmethyl)-N-methylpiperidine-2-carboxamide

理论计算性质

JChem

• Acid pKa: 15.826697
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 1.2244648
• LogD (pH = 7.4): 2.9814553
• Log P: 3.6374552
• 摩尔折射率: 98.1069 cm^3
• 极化性: 39.120167 Å^3
• 极化表面积: 32.34 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: 1
• Log P: 3.1
• LOG S: -5.29
• 极化表面积: 32.34 Å^2
• 可自由旋转的化学键: 3