(1R)-2-[(3R)-1-Azabicyclo[2.2.2]Oct-3-Yloxy]-1-Cyclopentyl-1-Phenylethanol

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Properties Simple | Detailed

Formula C20H29NO2
IUPAC Name (1r)-1-cyclopentyl-1-phenyl-2-[(3r)-quinuclidin-3-yl]oxy-ethanol
Molecular Mass 315.450 g·mol−1
Heat of Formation -347.6 ± 16.7 kJ·mol−1
Dipole Moment 2.76 ± 1.08 D
Volume 412.54 Å 3
Surface Area 333.71 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy 0.38 ± eV
Point Group Symmetry C1
Synonyms
  • (1r)-1-cyclopentyl-1-phenyl-2-[(3r)-quinuclidin-3-yl]oxy-ethanol
  • (1r)-1-cyclopentyl-1-phenyl-2-[[(3r)-3-quinuclidinyl]oxy]ethanol
  • (1r)-2-[[(8r)-1-azabicyclo[2.2.2]octan-8-yl]oxy]-1-cyclopentyl-1-phenyl-ethanol
  • (1r)-2-[[(8r)-1-azabicyclo[2.2.2]octan-8-yl]oxy]-1-cyclopentyl-1-phenylethanol
  • 3-(2'-phenyl-2'-cyclopentyl-2'-hydroxyethoxy)quinuclidine
  • 3-pcheq
  • benzenemethanol, alpha-((1-azabicyclo(2.2.2)oct-3-yloxy)methyl)-alpha-cyclopentyl-, (r-(r*,r*))-
  • penequine hydrochloride
CAS Number(s)
  • 114121-68-5
InChIKey GTKRIWMDLNOSLI-PMACEKPBSA-N
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