1-(4-Amino-5-Chloro-2-Methoxyphenyl)-3-(1-Butyl-4-Piperidinyl)-1-Propanone

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Properties Simple | Detailed

Formula C19H29ClN2O2
IUPAC Name 1-(4-amino-5-chloro-2-methoxy-phenyl)-3-(1-butyl-4-piperidyl)propan-1-one
Molecular Mass 352.899 g·mol−1
Heat of Formation -401.6 ± 16.7 kJ·mol−1
Dipole Moment 2.90 ± 1.08 D
Volume 437.58 Å 3
Surface Area 377.49 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy -0.26 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(4-amino-5-chloro-2-methoxy-phenyl)-3-(1-butylpiperidin-4-yl)propan-1-one
  • 1-(4-amino-5-chloro-2-methoxyphenyl)-3-(1-butyl-4-piperidinyl)propan-1-one
  • 1-(4-amino-5-chloro-2-methoxyphenyl)-3-(1-butylpiperidin-4-yl)propan-1-one
  • 1-propanone, 1-(4-amino-5-chloro-2-methoxyphenyl)-3-(1-butyl-4-piperidinyl)-
  • biomol-nt_000146
  • bpbio1_000441
  • pdsp1_001644
  • pdsp2_001628
  • rs 67333
  • rs-67333
  • tocris-0989
CAS Number(s)
  • 160845-95-4
InChIKey JBHLYIVFFLNISJ-UHFFFAOYSA-N
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Elements H C N O Cl