1-(3-fluoro-4-methylbenzoyl)-3-(3-methoxypropyl)piperidine

• ChemBase ID: 450643
• Molecular Formular: C17H24FNO2
• Molecular Mass: 293.3763632
• Monoisotopic Mass: 293.17910723
• SMILES: N1(C(=O)c2cc(c(cc2)C)F)CC(CCC1)CCCOC
• Canonical SMILES: COCCCC1CCCN(C1)C(=O)c1ccc(c(c1)F)C
• InChI: InChI=1S/C17H24FNO2/c1-13-7-8-15(11-16(13)18)17(20)19-9-3-5-14(12-19)6-4-10-21-2/h7-8,11,14H,3-6,9-10,12H2,1-2H3
• InChIKey: LPNCWHKZXFZPMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-fluoro-4-methylbenzoyl)-3-(3-methoxypropyl)piperidine
• IUPAC Traditional name: 1-(3-fluoro-4-methylbenzoyl)-3-(3-methoxypropyl)piperidine
• Synonyms: 1-(3-fluoro-4-methylbenzoyl)-3-(3-methoxypropyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2382855
• LogD (pH = 7.4): 3.2382858
• Log P: 3.2382858
• Molar Refractivity: 82.6829 cm^3
• Polarizability: 31.128626 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.34
• LOG S: -3.34
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 5