6-[2-(3-fluorophenyl)piperidine-1-carbonyl]quinoxaline

• ChemBase ID: 691829
• Molecular Formular: C20H18FN3O
• Molecular Mass: 335.3748232
• Monoisotopic Mass: 335.14339043
• SMILES: N1(C(=O)c2cc3nccnc3cc2)C(c2cc(F)ccc2)CCCC1
• Canonical SMILES: Fc1cccc(c1)C1CCCCN1C(=O)c1ccc2c(c1)nccn2
• InChI: InChI=1S/C20H18FN3O/c21-16-5-3-4-14(12-16)19-6-1-2-11-24(19)20(25)15-7-8-17-18(13-15)23-10-9-22-17/h3-5,7-10,12-13,19H,1-2,6,11H2
• InChIKey: BAGAJBIYVRXLON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[2-(3-fluorophenyl)piperidine-1-carbonyl]quinoxaline
• IUPAC Traditional name: 6-[2-(3-fluorophenyl)piperidine-1-carbonyl]quinoxaline
• Synonyms: 6-{[2-(3-fluorophenyl)-1-piperidinyl]carbonyl}quinoxaline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.3743618
• LogD (pH = 7.4): 3.374379
• Log P: 3.3743792
• Molar Refractivity: 92.9634 cm^3
• Polarizability: 36.60621 Å^3
• Polar Surface Area: 46.09 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.19
• LOG S: -3.52
• Polar Surface Area: 46.09 Å^2
• Rotatable Bonds: 2