1-[(3,5-difluorophenyl)methyl]-4-[2-(piperidine-1-carbonyl)phenoxy]piperidine

• ChemBase ID: 502042
• Molecular Formular: C24H28F2N2O2
• Molecular Mass: 414.4881264
• Monoisotopic Mass: 414.21188459
• SMILES: C(=O)(c1c(OC2CCN(Cc3cc(cc(c3)F)F)CC2)cccc1)N1CCCCC1
• Canonical SMILES: Fc1cc(CN2CCC(CC2)Oc2ccccc2C(=O)N2CCCCC2)cc(c1)F
• InChI: InChI=1S/C24H28F2N2O2/c25-19-14-18(15-20(26)16-19)17-27-12-8-21(9-13-27)30-23-7-3-2-6-22(23)24(29)28-10-4-1-5-11-28/h2-3,6-7,14-16,21H,1,4-5,8-13,17H2
• InChIKey: AXJHDZUAHFIPTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(3,5-difluorophenyl)methyl]-4-[2-(piperidine-1-carbonyl)phenoxy]piperidine
• IUPAC Traditional name: 1-[(3,5-difluorophenyl)methyl]-4-[2-(piperidine-1-carbonyl)phenoxy]piperidine
• Synonyms: 1-(3,5-difluorobenzyl)-4-[2-(1-piperidinylcarbonyl)phenoxy]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.394821
• LogD (pH = 7.4): 3.8240983
• Log P: 4.000616
• Molar Refractivity: 114.0315 cm^3
• Polarizability: 43.08434 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.15
• LOG S: -4.97
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 5