Methyl-(3S,4S)-4-(4-Chlorphenyl)-1-Methylpiperidin-3-Carboxylat

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Properties Simple | Detailed

Formula C14H18ClNO2
IUPAC Name methyl (1r,3s,4s)-4-(4-chlorophenyl)-1-methyl-piperidine-3-carboxylate
Molecular Mass 267.751 g·mol−1
Heat of Formation -323.5 ± 16.7 kJ·mol−1
Dipole Moment 2.10 ± 1.08 D
Volume 322.49 Å 3
Surface Area 277.09 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy 2.83 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,4s)-4-(4-chlorophenyl)-1-methyl-3-piperidinecarboxylic acid methyl ester
  • (3s,4s)-4-(4-chlorophenyl)-1-methyl-nipecotic acid methyl ester
  • methyl (3s,4s)-4-(4-chlorophenyl)-1-methyl-piperidine-3-carboxylate
  • methyl (3s,4s)-4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate
  • pdsp1_001292
  • pdsp2_001276
InChIKey GDFVYUDIAQQDTA-CHWSQXEVSA-N
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Elements H C N O Cl