(2R)-(4-Hydroxyphenyl)[(2R)-2-Piperidinyl]Acetic Acid

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Properties Simple | Detailed

Formula C13H17NO3
IUPAC Name (2r)-2-(4-hydroxyphenyl)-2-[(2r)-2-piperidyl]acetic acid
Molecular Mass 235.279 g·mol−1
Heat of Formation -515.4 ± 16.7 kJ·mol−1
Dipole Moment 2.00 ± 1.08 D
Volume 287.41 Å 3
Surface Area 258.5 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -0.13 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-(4-hydroxyphenyl)-2-[(2r)-2-piperidinyl]acetic acid
  • (2r)-2-(4-hydroxyphenyl)-2-[(2r)-2-piperidyl]acetic acid
  • (2r)-2-(4-hydroxyphenyl)-2-[(2r)-piperidin-2-yl]ethanoic acid
  • (r*,r*)-(+-)-alpha-(4-hydroxyphenyl)-2-piperidineacetic acid
  • 2-piperidineacetic acid, alpha-(4-hydroxyphenyl)-, (r*,r*)-(+-)-
  • 4-hydroxyritalinic acid
  • alpha-(4-hydroxyphenyl)-2-piperidineacetic acid
CAS Number(s)
  • 54593-32-7
InChIKey RONUHFNRYTWMCI-VXGBXAGGSA-N
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