Methyl 2-{4-[4,4-Bis(4-Fluorophenyl)Butyl]-1-Piperazinyl}Nicotinate

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Properties Simple | Detailed

Formula C27H29F2N3O2
IUPAC Name methyl 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridine-3-carboxylate
Molecular Mass 465.535 g·mol−1
Heat of Formation -398.8 ± 16.7 kJ·mol−1
Dipole Moment 4.00 ± 1.08 D
Volume 567.35 Å 3
Surface Area 465.42 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(4-(4,4-bis(4-fluorophenyl)butyl)-1-piperazinyl)-3-pyridinecarboxylic acid methyl ester
  • 2-[4-[4,4-bis(4-fluorophenyl)butyl]-1-piperazinyl]-3-pyridinecarboxylic acid methyl ester
  • 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]nicotinic acid methyl ester
  • 3-pyridinecarboxylic acid, 2-(4-(4,4-bis(4-fluorophenyl)butyl)-1-piperazinyl)-, methyl ester
  • fg 5893
  • fg-5893
CAS Number(s)
  • 150527-23-4
InChIKey NDCPNKXUTJGQQC-UHFFFAOYSA-N
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