1-benzyl-4-(methoxymethyl)-N-phenylpiperidin-4-amine

• ChemBase编号: 161902
• 分子式: C20H26N2O
• 平均质量: 310.43324
• 单一同位素质量: 310.20451346
• SMILES: c1ccc(cc1)NC1(CCN(CC1)Cc1ccccc1)COC
• Canonical SMILES: COCC1(CCN(CC1)Cc1ccccc1)Nc1ccccc1
• InChI: InChI=1S/C20H26N2O/c1-23-17-20(21-19-10-6-3-7-11-19)12-14-22(15-13-20)16-18-8-4-2-5-9-18/h2-11,21H,12-17H2,1H3
• InChIKey: QBUUEBUUMUYSIY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-benzyl-4-(methoxymethyl)-N-phenylpiperidin-4-amine
• IUPAC传统名: 1-benzyl-4-(methoxymethyl)-N-phenylpiperidin-4-amine
• 别名: 1-Benzyl-4-phenylamino-4-(methoxymethyl)piperidine; 4-(Methoxymethyl)-N-phenyl-1-(phenylmethyl)-4-piperidinamine 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,

登记号

• CAS号: 61380-02-7
• PubChem SID: 162256037
• PubChem CID: 3047724

理论计算性质

• Acid pKa: 18.808954
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -0.054950263
• LogD (pH = 7.4): 1.5958327
• Log P: 3.0740964
• 摩尔折射率: 97.2486 cm^3
• 极化性: 37.329594 Å^3
• 极化表面积: 24.5 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Dichloromethane
• 外观: Colourless Oil

详细说明

Toronto Research Chemicals - B288605

An intermediate in the preparation of Alfentanil and Sufentanil Citrate