4-(4-methylphenyl)-4-phenylpiperidine hydrochloride

• ChemBase编号: 76310
• 分子式: C18H22ClN
• 平均质量: 287.82698
• 单一同位素质量: 287.14407739
• SMILES: N1CCC(c2ccc(cc2)C)(c2ccccc2)CC1.Cl
• Canonical SMILES: Cc1ccc(cc1)C1(CCNCC1)c1ccccc1.Cl
• InChI: InChI=1S/C18H21N.ClH/c1-15-7-9-17(10-8-15)18(11-13-19-14-12-18)16-5-3-2-4-6-16;/h2-10,19H,11-14H2,1H3;1H
• InChIKey: OFEQNJRGUCKQJR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-(4-methylphenyl)-4-phenylpiperidine hydrochloride
• IUPAC传统名: 4-(4-methylphenyl)-4-phenylpiperidine hydrochloride
• 别名: 4-(4-methylphenyl)-4-phenylpiperidine hydrochloride

登记号

• MDL号: MFCD03840119
• PubChem SID: 162041216
• PubChem CID: 17749785

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 0.80436856
• LogD (pH = 7.4): 1.4728389
• Log P: 4.0255833
• 摩尔折射率: 91.5847 cm^3
• 极化性: 31.717934 Å^3
• 极化表面积: 12.03 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true