2-{2-[4-(3-fluorophenoxy)piperidin-1-yl]ethyl}pyridine

• ChemBase ID: 573863
• Molecular Formular: C18H21FN2O
• Molecular Mass: 300.3705432
• Monoisotopic Mass: 300.16379152
• SMILES: N1(CCc2ncccc2)CCC(Oc2cc(F)ccc2)CC1
• Canonical SMILES: Fc1cccc(c1)OC1CCN(CC1)CCc1ccccn1
• InChI: InChI=1S/C18H21FN2O/c19-15-4-3-6-18(14-15)22-17-8-12-21(13-9-17)11-7-16-5-1-2-10-20-16/h1-6,10,14,17H,7-9,11-13H2
• InChIKey: MWXFUEFSAKLRRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-[4-(3-fluorophenoxy)piperidin-1-yl]ethyl}pyridine
• IUPAC Traditional name: 2-{2-[4-(3-fluorophenoxy)piperidin-1-yl]ethyl}pyridine
• Synonyms: 2-{2-[4-(3-fluorophenoxy)-1-piperidinyl]ethyl}pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.094463445
• LogD (pH = 7.4): 1.8714007
• Log P: 2.8103678
• Molar Refractivity: 84.8216 cm^3
• Polarizability: 32.960396 Å^3
• Polar Surface Area: 25.36 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: 2.83
• LOG S: -3.51
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 5