Methyl (3S,4R)-3-Methyl-1-(2-Phenylethyl)-4-[Phenyl(Propionyl)Amino]-4-Piperidinecarboxylate

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Properties Simple | Detailed

Formula C25H32N2O3
IUPAC Name methyl (3s,4r)-3-methyl-1-(2-phenylethyl)-4-(n-propanoylanilino)piperidine-4-carboxylate
Molecular Mass 408.533 g·mol−1
Heat of Formation -405.5 ± 16.7 kJ·mol−1
Dipole Moment 4.27 ± 1.08 D
Volume 513.1 Å 3
Surface Area 417.04 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 2.79 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,4r)-3-methyl-1-(2-phenylethyl)-4-(phenyl-propionyl-amino)isonipecotic acid methyl ester
  • (3s,4r)-3-methyl-4-(1-oxopropyl-phenylamino)-1-(2-phenylethyl)-4-piperidinecarboxylic acid methyl ester
  • 4-piperidinecarboxylic acid, 3-methyl-4-((1-oxopropyl)phenylamino)-1-(2-phenyleethyl)-, methyl ester, (3r,4s)-rel-(-)-
  • 4-piperidinecarboxylic acid, 3-methyl-4-((1-oxopropyl)phenylamino)-1-(2-phenylethyl)-, methyl ester, cis-(-)-
  • lofentanil
  • methyl (3s,4r)-3-methyl-1-(2-phenylethyl)-4-(phenyl-propanoyl-amino)piperidine-4-carboxylate
  • methyl (3s,4r)-3-methyl-1-(2-phenylethyl)-4-(phenyl-propanoylamino)piperidine-4-carboxylate
  • methyl cis-(-)-3-methyl-4-((1-oxopropyl)phenylamino)-1-(2-phenylethyl)-4-piperidinecarboxylate
CAS Number(s)
  • 61380-40-3
InChIKey IMYHGORQCPYVBZ-NBGIEHNGSA-N
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