1-[4-(3-fluorophenyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine

• ChemBase ID: 457759
• Molecular Formular: C21H22FN3S
• Molecular Mass: 367.4828832
• Monoisotopic Mass: 367.15184694
• SMILES: N1(c2ccc(c3cc(F)ccc3)cc2)CCC(NCc2nccs2)CC1
• Canonical SMILES: Fc1cccc(c1)c1ccc(cc1)N1CCC(CC1)NCc1nccs1
• InChI: InChI=1S/C21H22FN3S/c22-18-3-1-2-17(14-18)16-4-6-20(7-5-16)25-11-8-19(9-12-25)24-15-21-23-10-13-26-21/h1-7,10,13-14,19,24H,8-9,11-12,15H2
• InChIKey: IDLYUPONXLIDNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(3-fluorophenyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
• IUPAC Traditional name: 1-[4-(3-fluorophenyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
• Synonyms: 1-(3'-fluoro-4-biphenylyl)-N-(1,3-thiazol-2-ylmethyl)-4-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5860851
• LogD (pH = 7.4): 3.323258
• Log P: 3.9714074
• Molar Refractivity: 105.1436 cm^3
• Polarizability: 41.27787 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.1
• LOG S: -4.37
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 5