4-(4-{4-[1-(morpholin-4-yl)ethyl]phenyl}phenyl)piperidin-4-ol

• ChemBase编号: 532752
• 分子式: C23H30N2O2
• 平均质量: 366.4965
• 单一同位素质量: 366.23072821
• SMILES: N1(C(c2ccc(c3ccc(C4(CCNCC4)O)cc3)cc2)C)CCOCC1
• Canonical SMILES: CC(c1ccc(cc1)c1ccc(cc1)C1(O)CCNCC1)N1CCOCC1
• InChI: InChI=1S/C23H30N2O2/c1-18(25-14-16-27-17-15-25)19-2-4-20(5-3-19)21-6-8-22(9-7-21)23(26)10-12-24-13-11-23/h2-9,18,24,26H,10-17H2,1H3
• InChIKey: OVGSVCIVIJYHHM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-(4-{4-[1-(morpholin-4-yl)ethyl]phenyl}phenyl)piperidin-4-ol
• IUPAC传统名: 4-(4-{4-[1-(morpholin-4-yl)ethyl]phenyl}phenyl)piperidin-4-ol
• 别名: 4-[4'-(1-morpholin-4-ylethyl)biphenyl-4-yl]piperidin-4-ol

理论计算性质

JChem

• Acid pKa: 13.985942
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): -2.6435938
• LogD (pH = 7.4): 0.19569153
• Log P: 2.5601196
• 摩尔折射率: 110.0921 cm^3
• 极化性: 44.496002 Å^3
• 极化表面积: 44.73 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 2
• Log P: 2.25
• LOG S: -2.79
• 极化表面积: 44.73 Å^2
• 可自由旋转的化学键: 4