4-{2-methoxy-5-[2-(3-methoxypropyl)piperidine-1-carbonyl]phenyl}morpholine

• ChemBase编号: 386106
• 分子式: C21H32N2O4
• 平均质量: 376.48978
• 单一同位素质量: 376.23620751
• SMILES: C(=O)(N1C(CCCOC)CCCC1)c1cc(N2CCOCC2)c(cc1)OC
• Canonical SMILES: COCCCC1CCCCN1C(=O)c1ccc(c(c1)N1CCOCC1)OC
• InChI: InChI=1S/C21H32N2O4/c1-25-13-5-7-18-6-3-4-10-23(18)21(24)17-8-9-20(26-2)19(16-17)22-11-14-27-15-12-22/h8-9,16,18H,3-7,10-15H2,1-2H3
• InChIKey: LCLFXGXGUANGED-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-{2-methoxy-5-[2-(3-methoxypropyl)piperidine-1-carbonyl]phenyl}morpholine
• IUPAC传统名: 4-{2-methoxy-5-[2-(3-methoxypropyl)piperidine-1-carbonyl]phenyl}morpholine
• 别名: 4-(2-methoxy-5-{[2-(3-methoxypropyl)-1-piperidinyl]carbonyl}phenyl)morpholine

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 2.4435902
• LogD (pH = 7.4): 2.4435904
• Log P: 2.4435904
• 摩尔折射率: 107.2618 cm^3
• 极化性: 40.695534 Å^3
• 极化表面积: 51.24 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 1.66
• LOG S: -3.36
• 极化表面积: 51.24 Å^2
• 可自由旋转的化学键: 7