4-(1-{1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl}ethyl)morpholine

• ChemBase ID: 692394
• Molecular Formular: C20H26FN3OS
• Molecular Mass: 375.5033432
• Monoisotopic Mass: 375.17806169
• SMILES: c1(nc(cs1)c1ccc(cc1)F)N1CCC(C(N2CCOCC2)C)CC1
• Canonical SMILES: CC(N1CCOCC1)C1CCN(CC1)c1scc(n1)c1ccc(cc1)F
• InChI: InChI=1S/C20H26FN3OS/c1-15(23-10-12-25-13-11-23)16-6-8-24(9-7-16)20-22-19(14-26-20)17-2-4-18(21)5-3-17/h2-5,14-16H,6-13H2,1H3
• InChIKey: NWHMVKDCOVLQBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-{1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl}ethyl)morpholine
• IUPAC Traditional name: 4-(1-{1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl}ethyl)morpholine
• Synonyms: 4-(1-{1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-piperidinyl}ethyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.584081
• LogD (pH = 7.4): 3.3568513
• Log P: 4.2855916
• Molar Refractivity: 103.9113 cm^3
• Polarizability: 40.845627 Å^3
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.56
• LOG S: -3.12
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 4