4-[6-(piperidine-1-carbonyl)pyrazin-2-yl]-2-(trifluoromethyl)morpholine

• ChemBase编号: 482202
• 分子式: C15H19F3N4O2
• 平均质量: 344.3321696
• 单一同位素质量: 344.14601053
• SMILES: c1(nc(N2CC(C(F)(F)F)OCC2)cnc1)C(=O)N1CCCCC1
• Canonical SMILES: O=C(c1cncc(n1)N1CCOC(C1)C(F)(F)F)N1CCCCC1
• InChI: InChI=1S/C15H19F3N4O2/c16-15(17,18)12-10-22(6-7-24-12)13-9-19-8-11(20-13)14(23)21-4-2-1-3-5-21/h8-9,12H,1-7,10H2
• InChIKey: FGTVAWHTHZZQLK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-[6-(piperidine-1-carbonyl)pyrazin-2-yl]-2-(trifluoromethyl)morpholine
• IUPAC传统名: 4-[6-(piperidine-1-carbonyl)pyrazin-2-yl]-2-(trifluoromethyl)morpholine
• 别名: 4-[6-(piperidin-1-ylcarbonyl)pyrazin-2-yl]-2-(trifluoromethyl)morpholine

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 1.5709733
• LogD (pH = 7.4): 1.5709741
• Log P: 1.5709741
• 摩尔折射率: 81.3229 cm^3
• 极化性: 29.649961 Å^3
• 极化表面积: 58.56 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 1.0
• LOG S: -2.56
• 极化表面积: 58.56 Å^2
• 可自由旋转的化学键: 3