4-{[(3S,4R)-4-(4-Fluorophenyl)-3-Piperidinyl]Methoxy}-2-Methoxyphenol

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Properties Simple | Detailed

Formula C19H22FNO3
IUPAC Name 4-[[(3s,4r)-4-(4-fluorophenyl)-3-piperidyl]methoxy]-2-methoxy-phenol
Molecular Mass 331.381 g·mol−1
Heat of Formation -559.8 ± 16.7 kJ·mol−1
Dipole Moment 3.75 ± 1.08 D
Volume 398.39 Å 3
Surface Area 311.41 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy 2.75 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(4-fluorophenyl)-3-(4-hydroxy-3-methoxyphenoxymethyl)piperidine
  • 4-[[(3s,4r)-4-(4-fluorophenyl)-3-piperidinyl]methoxy]-2-methoxyphenol
  • 4-[[(3s,4r)-4-(4-fluorophenyl)-3-piperidyl]methoxy]-2-methoxy-phenol
  • 4-[[(3s,4r)-4-(4-fluorophenyl)piperidin-3-yl]methoxy]-2-methoxy-phenol
  • brl 36610
  • brl-36610
  • phenol, 4-((4-(4-fluorophenyl)-3-piperidinyl)methoxy)-2-methoxy-, trans-(-)-
  • trans-(-)-4-((4-(4-fluorophenyl)-3-piperidinyl)methoxy)-2-methoxyphenol
CAS Number(s)
  • 112058-90-9
InChIKey DTXXMQRFTUCBHG-YOEHRIQHSA-N
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