7-(2-(4-(4-Fluorobenzoyl)-1-Piperidinyl)Ethyl)-3,7-Dihydro-1,3-Dimethyl-1H-Purine-2,6-Dione

Molecule SVG Image

Properties Simple | Detailed

Formula C21H24FN5O3
IUPAC Name 7-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]-1,3-dimethyl-8h-purine-4,5,8,9-tetraide-2,6-dione
Molecular Mass 413.445 g·mol−1
Heat of Formation -450.2 ± 16.7 kJ·mol−1
Dipole Moment 3.78 ± 1.08 D
Volume 477.86 Å 3
Surface Area 407.86 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 2.37 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-purine-2,6-dione, 7-(2-(4-(4-fluorobenzoyl)-1-piperidinyl)ethyl)-3,7-dihydro-1,3-dimethyl-
  • 7-(2-(4-(p-fluorobenzoyl)piperidino)ethyl)theophylline
  • 7-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]-1,3-dimethyl-purine-2,6-dione
  • 7-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]-1,3-dimethyl-xanthine
  • 7-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione
  • 7-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-1,3-dimethyl-purine-2,6-dione
  • 7-[2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]ethyl]-1,3-dimethylpurine-2,6-dione
  • flufilina [spanish]
  • flufyllin
  • flufylline
  • flufyllinum [latin]
  • pdsp1_000838
  • pdsp2_000825
  • sgd 195 78
  • sgd-19578
  • theophylline, 7-(2-(4-(p-fluorobenzoyl)piperidino)ethyl)-
CAS Number(s)
  • 82190-91-8
InChIKey PMEYQPKJAPXGPS-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F