2-[3-fluoro-5-(2-methylpropoxy)phenyl]-3-(piperidine-1-carbonyl)pyridine

• ChemBase ID: 629464
• Molecular Formular: C21H25FN2O2
• Molecular Mass: 356.4338032
• Monoisotopic Mass: 356.19000627
• SMILES: c1(C(=O)N2CCCCC2)c(c2cc(cc(c2)F)OCC(C)C)nccc1
• Canonical SMILES: CC(COc1cc(F)cc(c1)c1ncccc1C(=O)N1CCCCC1)C
• InChI: InChI=1S/C21H25FN2O2/c1-15(2)14-26-18-12-16(11-17(22)13-18)20-19(7-6-8-23-20)21(25)24-9-4-3-5-10-24/h6-8,11-13,15H,3-5,9-10,14H2,1-2H3
• InChIKey: IUYAPDIRRTVMOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-fluoro-5-(2-methylpropoxy)phenyl]-3-(piperidine-1-carbonyl)pyridine
• IUPAC Traditional name: 2-[3-fluoro-5-(2-methylpropoxy)phenyl]-3-(piperidine-1-carbonyl)pyridine
• Synonyms: 2-(3-fluoro-5-isobutoxyphenyl)-3-(piperidin-1-ylcarbonyl)pyridine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.12
• LOG S: -4.46
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 5

JChem

• H Donor: 0
• LogD (pH = 5.5): 4.1645226
• LogD (pH = 7.4): 4.1663184
• Log P: 4.1663413
• Molar Refractivity: 100.1029 cm^3
• Polarizability: 39.3859 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 3