2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-3,5-difluoropyridine

• ChemBase ID: 747018
• Molecular Formular: C17H15ClF2N2O2
• Molecular Mass: 352.7630064
• Monoisotopic Mass: 352.07901185
• SMILES: c1(C(=O)N2CCC(CC2)Oc2ccc(Cl)cc2)ncc(cc1F)F
• Canonical SMILES: Fc1cnc(c(c1)F)C(=O)N1CCC(CC1)Oc1ccc(cc1)Cl
• InChI: InChI=1S/C17H15ClF2N2O2/c18-11-1-3-13(4-2-11)24-14-5-7-22(8-6-14)17(23)16-15(20)9-12(19)10-21-16/h1-4,9-10,14H,5-8H2
• InChIKey: IQIZTKCSFBNKIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-3,5-difluoropyridine
• IUPAC Traditional name: 2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-3,5-difluoropyridine
• Synonyms: 2-{[4-(4-chlorophenoxy)-1-piperidinyl]carbonyl}-3,5-difluoropyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.981076
• LogD (pH = 7.4): 2.981076
• Log P: 2.981076
• Molar Refractivity: 85.6227 cm^3
• Polarizability: 32.370457 Å^3
• Polar Surface Area: 42.43 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: 2.3
• LOG S: -3.74
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 3