(3S,4S)-4-Benzyl-1-{2-[(4-Hydroxyphenyl)Sulfonyl]Ethyl}-3-Piperidinol

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Formula C20H25NO4S
IUPAC Name (1s,3s,4s)-4-benzyl-1-[2-(4-hydroxyphenyl)sulfonylethyl]piperidin-3-ol
Molecular Mass 375.482 g·mol−1
Heat of Formation -560.7 ± 16.7 kJ·mol−1
Dipole Moment 5.03 ± 1.08 D
Volume 449.29 Å 3
Surface Area 389.35 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,4s)-1-[2-(4-hydroxyphenyl)sulfonylethyl]-4-(phenylmethyl)-3-piperidinol
  • (3s,4s)-1-[2-(4-hydroxyphenyl)sulfonylethyl]-4-(phenylmethyl)piperidin-3-ol
  • (3s,4s)-4-(benzyl)-1-[2-(4-hydroxyphenyl)sulfonylethyl]piperidin-3-ol
InChIKey UDLDPIPQVZOCPK-YLJYHZDGSA-N
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