2-(4-fluorophenyl)-1-(3-methoxypropyl)piperidine

• ChemBase ID: 722951
• Molecular Formular: C15H22FNO
• Molecular Mass: 251.3396832
• Monoisotopic Mass: 251.16854255
• SMILES: N1(C(c2ccc(cc2)F)CCCC1)CCCOC
• Canonical SMILES: COCCCN1CCCCC1c1ccc(cc1)F
• InChI: InChI=1S/C15H22FNO/c1-18-12-4-11-17-10-3-2-5-15(17)13-6-8-14(16)9-7-13/h6-9,15H,2-5,10-12H2,1H3
• InChIKey: KFWMHQYBQSXJBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)-1-(3-methoxypropyl)piperidine
• IUPAC Traditional name: 2-(4-fluorophenyl)-1-(3-methoxypropyl)piperidine
• Synonyms: 2-(4-fluorophenyl)-1-(3-methoxypropyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.20557553
• LogD (pH = 7.4): 1.401178
• Log P: 2.9804618
• Molar Refractivity: 72.5382 cm^3
• Polarizability: 28.035788 Å^3
• Polar Surface Area: 12.47 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: 3.06
• LOG S: -2.64
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 5