4-{[2-(3-fluorophenyl)piperidin-1-yl]sulfonyl}morpholine

• ChemBase ID: 563779
• Molecular Formular: C15H21FN2O3S
• Molecular Mass: 328.4022432
• Monoisotopic Mass: 328.12569176
• SMILES: S(=O)(=O)(N1C(c2cc(F)ccc2)CCCC1)N1CCOCC1
• Canonical SMILES: Fc1cccc(c1)C1CCCCN1S(=O)(=O)N1CCOCC1
• InChI: InChI=1S/C15H21FN2O3S/c16-14-5-3-4-13(12-14)15-6-1-2-7-18(15)22(19,20)17-8-10-21-11-9-17/h3-5,12,15H,1-2,6-11H2
• InChIKey: LGONQLOVWVBWQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4622082
• LogD (pH = 7.4): 1.4622082
• Log P: 1.4622082
• Molar Refractivity: 82.1441 cm^3
• Polarizability: 32.694294 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.41
• LOG S: -1.95
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 1