3-[2-(2-fluorophenyl)ethyl]-1-[5-(methoxymethyl)furan-2-carbonyl]piperidine

• ChemBase ID: 566996
• Molecular Formular: C20H24FNO3
• Molecular Mass: 345.4078632
• Monoisotopic Mass: 345.17402185
• SMILES: c1(C(=O)N2CC(CCc3c(F)cccc3)CCC2)oc(cc1)COC
• Canonical SMILES: COCc1ccc(o1)C(=O)N1CCCC(C1)CCc1ccccc1F
• InChI: InChI=1S/C20H24FNO3/c1-24-14-17-10-11-19(25-17)20(23)22-12-4-5-15(13-22)8-9-16-6-2-3-7-18(16)21/h2-3,6-7,10-11,15H,4-5,8-9,12-14H2,1H3
• InChIKey: SSEIGXNOMPDGOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(2-fluorophenyl)ethyl]-1-[5-(methoxymethyl)furan-2-carbonyl]piperidine
• IUPAC Traditional name: 3-[2-(2-fluorophenyl)ethyl]-1-[5-(methoxymethyl)furan-2-carbonyl]piperidine
• Synonyms: 3-[2-(2-fluorophenyl)ethyl]-1-[5-(methoxymethyl)-2-furoyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.508245
• LogD (pH = 7.4): 3.508245
• Log P: 3.508245
• Molar Refractivity: 94.8923 cm^3
• Polarizability: 35.766083 Å^3
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.36
• LOG S: -4.07
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 5