4-(4,4-difluoropiperidin-1-yl)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine

• ChemBase ID: 703162
• Molecular Formular: C18H22F2N4S
• Molecular Mass: 364.4558864
• Monoisotopic Mass: 364.15332416
• SMILES: s1c(nnc1c1ccccc1)N1CCC(N2CCC(CC2)(F)F)CC1
• Canonical SMILES: FC1(F)CCN(CC1)C1CCN(CC1)c1nnc(s1)c1ccccc1
• InChI: InChI=1S/C18H22F2N4S/c19-18(20)8-12-23(13-9-18)15-6-10-24(11-7-15)17-22-21-16(25-17)14-4-2-1-3-5-14/h1-5,15H,6-13H2
• InChIKey: PIBSFNUKMBTPAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4,4-difluoropiperidin-1-yl)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine
• IUPAC Traditional name: 4-(4,4-difluoropiperidin-1-yl)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine
• Synonyms: 4,4-difluoro-1'-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,4'-bipiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.1676074
• LogD (pH = 7.4): 2.9346411
• Log P: 3.6618862
• Molar Refractivity: 107.4464 cm^3
• Polarizability: 36.559296 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.51
• LOG S: -2.99
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 3