3-((2-Chlorophenyl)Amino)-5,5-Dimethyl-2-(1-Piperidinylmethyl)-2-Cyclohexen-1-One

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Properties Simple | Detailed

Formula C20H27ClN2O
IUPAC Name 3-(2-chloroanilino)-5,5-dimethyl-2-(1-piperidylmethyl)cyclohex-2-en-1-one
Molecular Mass 346.894 g·mol−1
Heat of Formation -165.0 ± 16.7 kJ·mol−1
Dipole Moment 6.41 ± 1.08 D
Volume 428.54 Å 3
Surface Area 350.64 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • 2-cyclohexen-1-one, 3-((2-chlorophenyl)amino)-5,5-dimethyl-2-(1-piperidinylmethyl)-
  • 3-[(2-chlorophenyl)amino]-5,5-dimethyl-2-(1-piperidylmethyl)-1-cyclohex-2-enone
  • 3-[(2-chlorophenyl)amino]-5,5-dimethyl-2-(1-piperidylmethyl)cyclohex-2-en-1-one
  • 3-[(2-chlorophenyl)amino]-5,5-dimethyl-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one
  • 3-[(2-chlorophenyl)amino]-5,5-dimethyl-2-(piperidinomethyl)cyclohex-2-en-1-one
  • mk-1-203
CAS Number(s)
  • 74972-02-4
InChIKey CMPKUAOWJPDARO-UHFFFAOYSA-N
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Elements H C N O Cl