3-[(R)-[(2S,5R)-4-Allyl-2,5-Dimethyl-1-Piperazinyl](3-Hydroxyphenyl)Methyl]-N-(3-Fluorophenyl)-N-Methylbenzamide

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Properties Simple | Detailed

Formula C30H34FN3O2
IUPAC Name 3-[(r)-[(1s,2s,4s,5r)-4-allyl-2,5-dimethyl-piperazin-1-yl]-(3-hydroxyphenyl)methyl]-n-(3-fluorophenyl)-n-methyl-benzamide
Molecular Mass 487.608 g·mol−1
Heat of Formation -201.7 ± 16.7 kJ·mol−1
Dipole Moment 6.79 ± 1.08 D
Volume 616.52 Å 3
Surface Area 482.76 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy 2.67 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(r)-[(2s,5r)-2,5-dimethyl-4-prop-2-enyl-piperazin-1-yl]-(3-hydroxyphenyl)methyl]-n-(3-fluorophenyl)-n-methyl-benzamide
  • 3-[(r)-[(2s,5r)-4-allyl-2,5-dimethyl-1-piperazinyl]-(3-hydroxyphenyl)methyl]-n-(3-fluorophenyl)-n-methylbenzamide
  • 3-[(r)-[(2s,5r)-4-allyl-2,5-dimethyl-piperazin-1-yl]-(3-hydroxyphenyl)methyl]-n-(3-fluorophenyl)-n-methyl-benzamide
InChIKey LZXRQLIIMYJZDA-UETOGOEVSA-N
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