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

• ChemBase ID: 557293
• Molecular Formular: C22H28FN3O
• Molecular Mass: 369.4756232
• Monoisotopic Mass: 369.22164075
• SMILES: N1(c2cc(c3ccc(cc3)F)ccc2)CCC(NCC2OCCNC2)CC1
• Canonical SMILES: Fc1ccc(cc1)c1cccc(c1)N1CCC(CC1)NCC1CNCCO1
• InChI: InChI=1S/C22H28FN3O/c23-19-6-4-17(5-7-19)18-2-1-3-21(14-18)26-11-8-20(9-12-26)25-16-22-15-24-10-13-27-22/h1-7,14,20,22,24-25H,8-13,15-16H2
• InChIKey: IWNWXGYUFUXYNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.6947371
• LogD (pH = 7.4): 0.45197535
• Log P: 2.9918385
• Molar Refractivity: 107.4647 cm^3
• Polarizability: 42.780205 Å^3
• Polar Surface Area: 36.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.51
• LOG S: -3.88
• Polar Surface Area: 36.53 Å^2
• Rotatable Bonds: 5