N-{(3S,4R)-1-[2-(4-Isothiocyanatophenyl)Ethyl]-3-Methyl-4-Piperidinyl}-N-Phenylpropanamide

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Properties Simple | Detailed

Formula C24H29N3OS
IUPAC Name n-[(1r,3s,4r)-1-[2-(4-isothiocyanatophenyl)ethyl]-3-methyl-4-piperidyl]-n-phenyl-propanamide
Molecular Mass 407.572 g·mol−1
Heat of Formation 90.4 ± 16.7 kJ·mol−1
Dipole Moment 6.22 ± 1.08 D
Volume 511.6 Å 3
Surface Area 437.54 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-trans-superfit
  • 3-methylfentanyl isothiocyanate
  • 3-methylfentanylisothiocyanate
  • me-fit
  • n-[(3s,4r)-1-[2-(4-isothiocyanatophenyl)ethyl]-3-methyl-4-piperidinyl]-n-phenylpropanamide
  • n-[(3s,4r)-1-[2-(4-isothiocyanatophenyl)ethyl]-3-methyl-4-piperidyl]-n-phenyl-propanamide
  • n-[(3s,4r)-1-[2-(4-isothiocyanatophenyl)ethyl]-3-methyl-4-piperidyl]-n-phenyl-propionamide
  • n-[(3s,4r)-1-[2-(4-isothiocyanatophenyl)ethyl]-3-methyl-piperidin-4-yl]-n-phenyl-propanamide
  • n-[(3s,4r)-1-[2-(4-isothiocyanatophenyl)ethyl]-3-methylpiperidin-4-yl]-n-phenylpropanamide
  • propanamide, n-(1-(2-(4-isothiocyanoatophenyl)ethyl)-3-methyl-4-piperidinyl)-n-phenyl-, (3s-cis)-
CAS Number(s)
  • 101472-20-2
InChIKey ZQESQBVNDBLWAM-WMZHIEFXSA-N
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