4-({1-[2-(4-fluorophenoxy)ethyl]piperidin-2-yl}methyl)morpholine

• ChemBase ID: 826135
• Molecular Formular: C18H27FN2O2
• Molecular Mass: 322.4175832
• Monoisotopic Mass: 322.20565633
• SMILES: N1(C(CN2CCOCC2)CCCC1)CCOc1ccc(F)cc1
• Canonical SMILES: Fc1ccc(cc1)OCCN1CCCCC1CN1CCOCC1
• InChI: InChI=1S/C18H27FN2O2/c19-16-4-6-18(7-5-16)23-14-11-21-8-2-1-3-17(21)15-20-9-12-22-13-10-20/h4-7,17H,1-3,8-15H2
• InChIKey: OQOYQQVDPDTASP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({1-[2-(4-fluorophenoxy)ethyl]piperidin-2-yl}methyl)morpholine
• IUPAC Traditional name: 4-({1-[2-(4-fluorophenoxy)ethyl]piperidin-2-yl}methyl)morpholine
• Synonyms: 4-({1-[2-(4-fluorophenoxy)ethyl]-2-piperidinyl}methyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.5040211
• LogD (pH = 7.4): 1.1506453
• Log P: 2.6871984
• Molar Refractivity: 89.6625 cm^3
• Polarizability: 35.04569 Å^3
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.62
• LOG S: -2.78
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 6