3-{(R)-(4-Benzyl-1-Piperazinyl)[4-(2-Methyl-2-Propanyl)Phenyl]Methyl}Phenol

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Properties Simple | Detailed

Formula C28H34N2O
IUPAC Name 3-[(r)-(4-benzylpiperazin-1-yl)-(4-tert-butylphenyl)methyl]phenol
Molecular Mass 414.582 g·mol−1
Heat of Formation 67.3 ± 16.7 kJ·mol−1
Dipole Moment 0.89 ± 1.08 D
Volume 540.62 Å 3
Surface Area 451.43 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy 0.10 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(r)-(4-tert-butylphenyl)-[4-(phenylmethyl)-1-piperazinyl]methyl]phenol
  • 3-[(r)-(4-tert-butylphenyl)-[4-(phenylmethyl)piperazin-1-yl]methyl]phenol
  • 3-[(r)-[4-(benzyl)piperazin-1-yl]-(4-tert-butylphenyl)methyl]phenol
InChIKey PNVIEMCZBRMSPB-HHHXNRCGSA-N
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