N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide

• ChemBase编号: 159272
• 分子式: C21H26N2O
• 平均质量: 322.44394
• 单一同位素质量: 322.20451346
• SMILES: C1CN(CCC1N(c1ccccc1)C(=O)C)CCc1ccccc1
• Canonical SMILES: CC(=O)N(c1ccccc1)C1CCN(CC1)CCc1ccccc1
• InChI: InChI=1S/C21H26N2O/c1-18(24)23(20-10-6-3-7-11-20)21-13-16-22(17-14-21)15-12-19-8-4-2-5-9-19/h2-11,21H,12-17H2,1H3
• InChIKey: FYIUUQUPOKIKNI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
• IUPAC传统名: N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
• 别名: N-Phenyl-N-[1-(2-phenylethyl)-4-piperidinyl]acetamide; N-(1-Phenethyl-4-piperidylacetanilide; 1-Phenethyl-4-(N-phenylacetamido)piperidine; Acetyl Fentanyl; N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-acetamide

登记号

• CAS号: 3258-84-2
• PubChem SID: 162253407
• PubChem CID: 527015

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.04672103
• LogD (pH = 7.4): 1.7321719
• Log P: 3.1149628
• 摩尔折射率: 98.8556 cm^3
• 极化性: 38.454044 Å^3
• 极化表面积: 23.55 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: Off-White Solid
• 熔点: 93-95°C

安全信息

• 保存条件: Controlled Substance, -20°C Freezer

产品相关信息

• 纯度: 97%

详细说明

Toronto Research Chemicals - A175000

A Fentanyl analog.Controlled Substance.

参考文献

• Suzuki, S., et al.: Chem. Pharm. Bull., 34, 1340 (1986)
• Wood, M., et al.: J. Anal. Toxicol., 27, 78, (1986)
• Koch, D., et al.: J. Pharm. Biomed. Anal. 34, 577 (1986)