(2E)-5-(6-Methoxy-1,3-Benzodioxol-5-Yl)-1-(1-Piperidinyl)-2-Penten-1-One

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Properties Simple | Detailed

Formula C18H23NO4
IUPAC Name (e)-5-(6-methoxy-1,3-benzodioxol-5-yl)-1-(1-piperidyl)pent-2-en-1-one
Molecular Mass 317.380 g·mol−1
Heat of Formation -546.7 ± 16.7 kJ·mol−1
Dipole Moment 5.13 ± 1.08 D
Volume 395.28 Å 3
Surface Area 306.85 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy -0.17 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-5-(6-methoxy-1,3-benzodioxol-5-yl)-1-(1-piperidyl)pent-2-en-1-one
  • (e)-5-(6-methoxy-1,3-benzodioxol-5-yl)-1-piperidin-1-yl-pent-2-en-1-one
  • (e)-5-(6-methoxy-1,3-benzodioxol-5-yl)-1-piperidin-1-ylpent-2-en-1-one
  • (e)-5-(6-methoxy-1,3-benzodioxol-5-yl)-1-piperidino-pent-2-en-1-one
  • dihydrowisanine
  • piperidine, 1-(5-(6-methoxy-1,3-benzodioxol-5-yl)-1-oxo-2-pentenyl)-, (e)-
CAS Number(s)
  • 62926-59-4
InChIKey AZNMXIXFMAWPME-XBXARRHUSA-N
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