4-[(S)-[(2S,5R)-4-Allyl-2,5-Dimethyl-1-Piperazinyl](Phenyl)Methyl]-N,N-Diethylbenzamide

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Properties Simple | Detailed

Formula C27H37N3O
IUPAC Name 4-[(s)-[(1s,2s,4s,5r)-4-allyl-2,5-dimethyl-piperazin-1-yl]-phenyl-methyl]-n,n-diethyl-benzamide
Molecular Mass 419.602 g·mol−1
Heat of Formation 9.3 ± 16.7 kJ·mol−1
Dipole Moment 4.24 ± 1.08 D
Volume 569.96 Å 3
Surface Area 447.92 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -0.08 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(s)-[(2s,5r)-2,5-dimethyl-4-prop-2-enyl-piperazin-1-yl]-phenyl-methyl]-n,n-diethyl-benzamide
  • 4-[(s)-[(2s,5r)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-phenylmethyl]-n,n-diethylbenzamide
  • 4-[(s)-[(2s,5r)-4-allyl-2,5-dimethyl-1-piperazinyl]-phenylmethyl]-n,n-diethylbenzamide
  • 4-[(s)-[(2s,5r)-4-allyl-2,5-dimethyl-piperazin-1-yl]-phenyl-methyl]-n,n-diethyl-benzamide
  • tocris-1529
InChIKey WGIDFDFAOQVAHY-UFPGJGBJSA-N
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