3-[2-(2-fluorophenyl)ethyl]-1-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)piperidine

• ChemBase ID: 853805
• Molecular Formular: C20H22FN5
• Molecular Mass: 351.4205832
• Monoisotopic Mass: 351.18592395
• SMILES: c1(n(nnn1)c1ccccc1)N1CC(CCc2c(F)cccc2)CCC1
• Canonical SMILES: Fc1ccccc1CCC1CCCN(C1)c1nnnn1c1ccccc1
• InChI: InChI=1S/C20H22FN5/c21-19-11-5-4-8-17(19)13-12-16-7-6-14-25(15-16)20-22-23-24-26(20)18-9-2-1-3-10-18/h1-5,8-11,16H,6-7,12-15H2
• InChIKey: BRHGDMIQCFAHMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(2-fluorophenyl)ethyl]-1-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)piperidine
• IUPAC Traditional name: 3-[2-(2-fluorophenyl)ethyl]-1-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperidine
• Synonyms: 3-[2-(2-fluorophenyl)ethyl]-1-(1-phenyl-1H-tetrazol-5-yl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.183946
• LogD (pH = 7.4): 5.183946
• Log P: 5.183946
• Molar Refractivity: 103.0218 cm^3
• Polarizability: 38.12053 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.47
• LOG S: -5.58
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 5