5-(4-fluorophenyl)-3-(3-phenylpiperidin-1-yl)-1,2,4-triazine

• ChemBase ID: 479844
• Molecular Formular: C20H19FN4
• Molecular Mass: 334.3900632
• Monoisotopic Mass: 334.15937485
• SMILES: c1(nc(c2ccc(cc2)F)cnn1)N1CC(c2ccccc2)CCC1
• Canonical SMILES: Fc1ccc(cc1)c1cnnc(n1)N1CCCC(C1)c1ccccc1
• InChI: InChI=1S/C20H19FN4/c21-18-10-8-16(9-11-18)19-13-22-24-20(23-19)25-12-4-7-17(14-25)15-5-2-1-3-6-15/h1-3,5-6,8-11,13,17H,4,7,12,14H2
• InChIKey: HGPPVCYDOJEXDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4-fluorophenyl)-3-(3-phenylpiperidin-1-yl)-1,2,4-triazine
• IUPAC Traditional name: 5-(4-fluorophenyl)-3-(3-phenylpiperidin-1-yl)-1,2,4-triazine
• Synonyms: 5-(4-fluorophenyl)-3-(3-phenyl-1-piperidinyl)-1,2,4-triazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.3816032
• LogD (pH = 7.4): 4.3817143
• Log P: 4.381716
• Molar Refractivity: 98.6494 cm^3
• Polarizability: 37.397198 Å^3
• Polar Surface Area: 41.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.81
• LOG S: -5.93
• Polar Surface Area: 41.91 Å^2
• Rotatable Bonds: 3