N-(2H5)phenyl-1-(2-phenylethyl)piperidin-4-amine

• ChemBase编号: 176613
• 分子式: C19H24N2
• 平均质量: 280.40726
• 单一同位素质量: 280.19394878
• SMILES: C1CN(CCC1Nc1ccccc1)CCc1ccccc1
• Canonical SMILES: c1ccc(cc1)CCN1CCC(CC1)Nc1ccccc1
• InChI: InChI=1S/C19H24N2/c1-3-7-17(8-4-1)11-14-21-15-12-19(13-16-21)20-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2
• InChIKey: ZCMDXDQUYIWEKB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(^2H₅)phenyl-1-(2-phenylethyl)piperidin-4-amine
• IUPAC传统名: N-(^2H₅)phenyl-1-(2-phenylethyl)piperidin-4-amine
• 别名: N-[1-(2-Phenylethyl)-4-piperidinyl]aniline-d5; N-Phenyl-1-(2-phenylethyl)-4-piperidinamine-d5; Depropionylfentanyl-d5; N-Phenyl-d5-N'-[1-(2-phenylethyl)]-4-piperidine

登记号

• CAS号: 1189466-15-6
• PubChem SID: 164232523
• PubChem CID: 45040238

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 0.21040198
• LogD (pH = 7.4): 1.7266122
• Log P: 3.4859643
• 摩尔折射率: 91.0705 cm^3
• 极化性: 34.78067 Å^3
• 极化表面积: 15.27 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

• 溶解度: Chloroform; Dichloromethane; DMSO,Hexane; Methanol
• 外观: Pale Brown Solid
• 熔点: 88-90°C