2,4-dimethoxy-6-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]-1,3,5-triazine

• ChemBase编号: 589315
• 分子式: C18H32N6O2
• 平均质量: 364.48568
• 单一同位素质量: 364.25867429
• SMILES: c1(nc(nc(n1)OC)OC)N1CCN(C2CC(NC(C2)(C)C)(C)C)CC1
• Canonical SMILES: COc1nc(nc(n1)OC)N1CCN(CC1)C1CC(C)(C)NC(C1)(C)C
• InChI: InChI=1S/C18H32N6O2/c1-17(2)11-13(12-18(3,4)22-17)23-7-9-24(10-8-23)14-19-15(25-5)21-16(20-14)26-6/h13,22H,7-12H2,1-6H3
• InChIKey: RIEQUISHTXVOJK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,4-dimethoxy-6-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]-1,3,5-triazine
• IUPAC传统名: 2,4-dimethoxy-6-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]-1,3,5-triazine
• 别名: 2,4-dimethoxy-6-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]-1,3,5-triazine

理论计算性质

JChem

• 质子受体: 8
• 质子供体: 1
• LogD (pH = 5.5): -2.1176786
• LogD (pH = 7.4): -0.47694117
• Log P: 2.5699725
• 摩尔折射率: 104.0351 cm^3
• 极化性: 39.389877 Å^3
• 极化表面积: 75.64 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: 7
• 质子供体: 1
• Log P: 2.34
• LOG S: -2.85
• 极化表面积: 75.64 Å^2
• 可自由旋转的化学键: 4