(3R,4R)-1-{6-[3-(Methylsulfonyl)Phenyl]-4-Pyrimidinyl}-4-(2,4,5-Trifluorophenyl)-3-Piperidinamine

Molecule SVG Image

Properties Simple | Detailed

Formula C22H21F3N4O2S
IUPAC Name (3r,4r)-1-[6-(3-methylsulfonylphenyl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)piperidin-3-amine
Molecular Mass 462.488 g·mol−1
Heat of Formation -567.2 ± 16.7 kJ·mol−1
Dipole Moment 3.59 ± 1.08 D
Volume 505.57 Å 3
Surface Area 432.28 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -1.40 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4r)-1-[6-(3-methylsulfonylphenyl)-4-pyrimidinyl]-4-(2,4,5-trifluorophenyl)-3-piperidinamine
  • (3r,4r)-1-[6-(3-methylsulfonylphenyl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)piperidin-3-amine
  • [(3r,4r)-1-[6-(3-mesylphenyl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)-3-piperidyl]amine
  • ma9
InChIKey GOBIXGZJSMAOFV-QRWLVFNGSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H O N S