1-[(2,6-difluorophenyl)methyl]-3-(3-methoxypropyl)piperidine

• ChemBase ID: 506604
• Molecular Formular: C16H23F2NO
• Molecular Mass: 283.3567264
• Monoisotopic Mass: 283.1747708
• SMILES: c1(CN2CC(CCC2)CCCOC)c(F)cccc1F
• Canonical SMILES: COCCCC1CCCN(C1)Cc1c(F)cccc1F
• InChI: InChI=1S/C16H23F2NO/c1-20-10-4-6-13-5-3-9-19(11-13)12-14-15(17)7-2-8-16(14)18/h2,7-8,13H,3-6,9-12H2,1H3
• InChIKey: OQJGDMNSZQTMKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(2,6-difluorophenyl)methyl]-3-(3-methoxypropyl)piperidine
• IUPAC Traditional name: 1-[(2,6-difluorophenyl)methyl]-3-(3-methoxypropyl)piperidine
• Synonyms: 1-(2,6-difluorobenzyl)-3-(3-methoxypropyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2727298
• LogD (pH = 7.4): 2.993912
• Log P: 3.5109706
• Molar Refractivity: 77.529 cm^3
• Polarizability: 29.55464 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.08
• LOG S: -2.89
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 6