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

• ChemBase ID: 589315
• Molecular Formular: C18H32N6O2
• Molecular Mass: 364.48568
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dimethoxy-6-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]-1,3,5-triazine
• IUPAC Traditional name: 2,4-dimethoxy-6-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]-1,3,5-triazine
• Synonyms: 2,4-dimethoxy-6-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]-1,3,5-triazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 8
• H Donor: 1
• LogD (pH = 5.5): -2.1176786
• LogD (pH = 7.4): -0.47694117
• Log P: 2.5699725
• Molar Refractivity: 104.0351 cm^3
• Polarizability: 39.389877 Å^3
• Polar Surface Area: 75.64 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 2.34
• LOG S: -2.85
• Polar Surface Area: 75.64 Å^2
• Rotatable Bonds: 4