(3R)-1-Butyl-3-Piperidinyl (2-Chloro-6-Methylphenyl)Carbamate

Molecule SVG Image

Properties Simple | Detailed

Formula C17H25ClN2O2
IUPAC Name [(1s,3r)-1-butyl-3-piperidyl] n-(2-chloro-6-methyl-phenyl)carbamate
Molecular Mass 324.846 g·mol−1
Heat of Formation -421.5 ± 16.7 kJ·mol−1
Dipole Moment 3.07 ± 1.08 D
Volume 398.03 Å 3
Surface Area 360.14 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
Synonyms
  • (r)-(+)-2-chloro-6-methylcarbanilic acid, 1-butyl-3-piperidyl ester
  • [(3r)-1-butyl-3-piperidyl] n-(2-chloro-6-methyl-phenyl)carbamate
  • [(3r)-1-butylpiperidin-3-yl] n-(2-chloro-6-methyl-phenyl)carbamate
  • [(3r)-1-butylpiperidin-3-yl] n-(2-chloro-6-methylphenyl)carbamate
  • carbanilic acid, 2-chloro-6-methyl-, n-n-butyl-3-piperidyl ester (r(+))
  • n-(2-chloro-6-methyl-phenyl)carbamic acid [(3r)-1-butyl-3-piperidyl] ester
  • n-(2-chloro-6-methylphenyl)carbamic acid [(3r)-1-butyl-3-piperidinyl] ester
  • r(+)-(n-n-butyl-3-piperidyl 2'-chloro-6'-methylcarbanilate)
  • r(+)-hs 37
CAS Number(s)
  • 32234-95-0
InChIKey SUGBVZMJIRBHEZ-CQSZACIVSA-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 Cl