Methyl (2R)-(4-Hydroxyphenyl)[(2R)-2-Piperidinyl]Acetate

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Properties Simple | Detailed

Formula C14H19NO3
IUPAC Name methyl (2r)-2-(4-hydroxyphenyl)-2-[(2r)-2-piperidyl]acetate
Molecular Mass 249.306 g·mol−1
Heat of Formation -495.3 ± 16.7 kJ·mol−1
Dipole Moment 1.91 ± 1.08 D
Volume 309.86 Å 3
Surface Area 276.49 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -0.07 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-(4-hydroxyphenyl)-2-[(2r)-2-piperidinyl]acetic acid methyl ester
  • (2r)-2-(4-hydroxyphenyl)-2-[(2r)-2-piperidyl]acetic acid methyl ester
  • 2-piperidineacetic acid, alpha(4-hydroxyphenyl)-, methyl ester, (r*,r*)-(+-)-
  • 4-hydroxymethylphenidate
  • methyl (2r)-2-(4-hydroxyphenyl)-2-[(2r)-2-piperidyl]acetate
  • methyl (2r)-2-(4-hydroxyphenyl)-2-[(2r)-piperidin-2-yl]acetate
  • methyl (2r)-2-(4-hydroxyphenyl)-2-[(2r)-piperidin-2-yl]ethanoate
  • p-hydroxymethylphenidate
  • para-hydroxymethylphenidate
  • threo-dl-p-hydroxymethylphenidate
CAS Number(s)
  • 54593-35-0
InChIKey XVXFNANJMMTNSO-CHWSQXEVSA-N
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