1-(8-Amino-7-Chloro-2,3-Dihydro-1,4-Benzodioxin-5-Yl)-3-{1-[3-(3,4-Dimethoxyphenyl)Propyl]-4-Piperidinyl}-1-Propanone

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Properties Simple | Detailed

Formula C27H35ClN2O5
IUPAC Name 1-(5-amino-6-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)-3-[1-[3-(3,4-dimethoxyphenyl)propyl]-4-piperidyl]propan-1-one
Molecular Mass 503.030 g·mol−1
Heat of Formation -716.1 ± 16.7 kJ·mol−1
Dipole Moment 4.60 ± 1.08 D
Volume 602.88 Å 3
Surface Area 492.27 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(5-amino-6-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)-3-[1-[3-(3,4-dimethoxyphenyl)propyl]-4-piperidinyl]propan-1-one
  • 1-(5-amino-6-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)-3-[1-[3-(3,4-dimethoxyphenyl)propyl]piperidin-4-yl]propan-1-one
  • pdsp1_001701
  • pdsp2_001684
  • rs100235
InChIKey UVOCSZKGWJOKNN-UHFFFAOYSA-N
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Elements H C N O Cl