7-{3-[4-(6-Fluoro-1,2-Benzoxazol-3-Yl)-1-Piperidinyl]Propoxy}-3-(Hydroxymethyl)-4H-Chromen-4-One

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Formula C25H25FN2O5
IUPAC Name 7-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]propoxy]-3-(hydroxymethyl)chromen-4-one
Molecular Mass 452.475 g·mol−1
Heat of Formation -574.4 ± 16.7 kJ·mol−1
Dipole Moment 7.25 ± 1.08 D
Volume 516.78 Å 3
Surface Area 462.77 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy 2.02 ± eV
Point Group Symmetry C1
Synonyms
  • 7-(3-(4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidino)propoxy)-3-(hydroxymethyl)-4h-1-benzopyran-4-one
  • 7-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]propoxy]-3-(hydroxymethyl)-4-chromenone
  • 7-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-(hydroxymethyl)chromen-4-one
  • 7-[3-[4-(6-fluoroindoxazen-3-yl)-1-piperidyl]propoxy]-3-methylol-chromone
  • abaperidone
  • fi-8602
CAS Number(s)
  • 183849-43-6
InChIKey ICAXEUYZCLRXKY-UHFFFAOYSA-N
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