(4-Isopropyl-1,4-Diazepan-1-Yl){1-[6-(Trifluoromethyl)-3-Pyridinyl]-4-Piperidinyl}Methanone

Molecule SVG Image

Properties Simple | Detailed

Formula C20H29F3N4O
IUPAC Name [(4s)-4-isopropyl-1,4-diazepan-1-yl]-[1-[6-(trifluoromethyl)-3-pyridyl]-4-piperidyl]methanone
Molecular Mass 398.466 g·mol−1
Heat of Formation -755.1 ± 16.7 kJ·mol−1
Dipole Moment 9.51 ± 1.08 D
Volume 470.04 Å 3
Surface Area 392.79 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -0.59 ± eV
Point Group Symmetry C1
Synonyms
  • (4-isopropyl-1,4-diazepan-1-yl)-[1-[6-(trifluoromethyl)-3-pyridyl]-4-piperidinyl]methanone
  • (4-isopropyl-1,4-diazepan-1-yl)-[1-[6-(trifluoromethyl)-3-pyridyl]-4-piperidyl]methanone
  • (4-propan-2-yl-1,4-diazepan-1-yl)-[1-[6-(trifluoromethyl)pyridin-3-yl]piperidin-4-yl]methanone
InChIKey AHHPKVQYHXNBQN-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F