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

• ChemBase ID: 391055
• Molecular Formular: C22H24FN3O
• Molecular Mass: 365.4438632
• Monoisotopic Mass: 365.19034062
• SMILES: N1(c2cc(c3cc(F)ccc3)ccc2)CCC(N(Cc2nocc2)C)CC1
• Canonical SMILES: CN(C1CCN(CC1)c1cccc(c1)c1cccc(c1)F)Cc1nocc1
• InChI: InChI=1S/C22H24FN3O/c1-25(16-20-10-13-27-24-20)21-8-11-26(12-9-21)22-7-3-5-18(15-22)17-4-2-6-19(23)14-17/h2-7,10,13-15,21H,8-9,11-12,16H2,1H3
• InChIKey: NJBLZDKKPGWQJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9530854
• LogD (pH = 7.4): 3.6464384
• Log P: 4.0685134
• Molar Refractivity: 106.8227 cm^3
• Polarizability: 41.329807 Å^3
• Polar Surface Area: 32.51 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: 4.2
• LOG S: -4.44
• Polar Surface Area: 32.51 Å^2
• Rotatable Bonds: 5