1-(2-fluoro-6-methoxybenzoyl)-3-(3-methoxyphenoxymethyl)piperidine

• ChemBase ID: 366943
• Molecular Formular: C21H24FNO4
• Molecular Mass: 373.4179632
• Monoisotopic Mass: 373.16893647
• SMILES: C(=O)(c1c(F)cccc1OC)N1CC(COc2cc(OC)ccc2)CCC1
• Canonical SMILES: COc1cccc(c1)OCC1CCCN(C1)C(=O)c1c(F)cccc1OC
• InChI: InChI=1S/C21H24FNO4/c1-25-16-7-3-8-17(12-16)27-14-15-6-5-11-23(13-15)21(24)20-18(22)9-4-10-19(20)26-2/h3-4,7-10,12,15H,5-6,11,13-14H2,1-2H3
• InChIKey: PPJPFCJOUXKDJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-fluoro-6-methoxybenzoyl)-3-(3-methoxyphenoxymethyl)piperidine
• IUPAC Traditional name: 1-(2-fluoro-6-methoxybenzoyl)-3-(3-methoxyphenoxymethyl)piperidine
• Synonyms: 1-(2-fluoro-6-methoxybenzoyl)-3-[(3-methoxyphenoxy)methyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.2529664
• LogD (pH = 7.4): 3.2529664
• Log P: 3.2529664
• Molar Refractivity: 100.776 cm^3
• Polarizability: 38.47605 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.72
• LOG S: -4.25
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 6