1-[(2-fluoro-5-methoxyphenyl)methyl]-3-(3-methoxypropyl)piperidine

• ChemBase ID: 336007
• Molecular Formular: C17H26FNO2
• Molecular Mass: 295.3922432
• Monoisotopic Mass: 295.1947573
• SMILES: c1(CN2CC(CCC2)CCCOC)c(ccc(c1)OC)F
• Canonical SMILES: COCCCC1CCCN(C1)Cc1cc(OC)ccc1F
• InChI: InChI=1S/C17H26FNO2/c1-20-10-4-6-14-5-3-9-19(12-14)13-15-11-16(21-2)7-8-17(15)18/h7-8,11,14H,3-6,9-10,12-13H2,1-2H3
• InChIKey: BUWWRHBVGTWKSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(2-fluoro-5-methoxyphenyl)methyl]-3-(3-methoxypropyl)piperidine
• IUPAC Traditional name: 1-[(2-fluoro-5-methoxyphenyl)methyl]-3-(3-methoxypropyl)piperidine
• Synonyms: 1-(2-fluoro-5-methoxybenzyl)-3-(3-methoxypropyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.541563
• LogD (pH = 7.4): 2.315342
• Log P: 3.2105975
• Molar Refractivity: 83.7758 cm^3
• Polarizability: 32.398266 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.98
• LOG S: -2.89
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 7