4-[(R)-[(2S,5R)-4-Allyl-2,5-Dimethyl-1-Piperazinyl](3-Methoxyphenyl)Methyl]-N,N-Diethylbenzamide

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Properties Simple | Detailed

Formula C28H39N3O2
IUPAC Name 4-[(r)-[(2s,5r)-4-allyl-2,5-dimethyl-piperazin-1-yl]-(3-methoxyphenyl)methyl]-n,n-diethyl-benzamide
Molecular Mass 449.628 g·mol−1
Heat of Formation -146.2 ± 16.7 kJ·mol−1
Dipole Moment 6.25 ± 1.08 D
Volume 599.04 Å 3
Surface Area 481.4 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy 2.92 ± eV
Point Group Symmetry C1
Synonyms
  • 4-((2,5-dimethyl-4-(2-propenyl)-1-piperazinyl)(3-methoxyphenyl)methyl)-n,n-diethylbenzamide (2s-(1(s*),2alpha,5beta))-
  • 4-(alpha-(4-allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl)-n,n-diethylbenzamide
  • 4-[(r)-[(2s,5r)-2,5-dimethyl-4-prop-2-enyl-piperazin-1-yl]-(3-methoxyphenyl)methyl]-n,n-diethyl-benzamide
  • 4-[(r)-[(2s,5r)-4-allyl-2,5-dimethyl-1-piperazinyl]-(3-methoxyphenyl)methyl]-n,n-diethylbenzamide
  • 4-[(r)-[(2s,5r)-4-allyl-2,5-dimethyl-piperazin-1-yl]-(3-methoxyphenyl)methyl]-n,n-diethyl-benzamide
  • benzamide, 4-((2,5-dimethyl-4-(2-propenyl)-1-piperazinyl)(3-methoxyphenyl)methyl)-n,n-diethyl-, (2s-(1(s*),2alpha,5bet))-
  • snc 80
  • snc-80
  • tocris-0764
CAS Number(s)
  • 156727-74-1
InChIKey KQWVAUSXZDRQPZ-UMTXDNHDSA-N
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