3-{(3R,5R)-5-[(Methylsulfanyl)Methyl]-1-Propyl-3-Piperidinyl}Phenol

Molecule SVG Image

Properties Simple | Detailed

Formula C16H25NOS
IUPAC Name 3-[(1s,3r,5r)-5-(methylsulfanylmethyl)-1-propyl-3-piperidyl]phenol
Molecular Mass 279.441 g·mol−1
Heat of Formation -171.1 ± 16.7 kJ·mol−1
Dipole Moment 2.10 ± 1.08 D
Volume 366.95 Å 3
Surface Area 327.72 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy 0.14 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(3-hydroxyphenyl)-5-((methylmercapto)methyl)-n-n-propylpiperidine
  • 3-[(3r,5r)-5-(methylsulfanylmethyl)-1-propyl-3-piperidyl]phenol
  • 3-[(3r,5r)-5-(methylsulfanylmethyl)-1-propyl-piperidin-3-yl]phenol
  • 3-[(3r,5r)-5-(methylsulfanylmethyl)-1-propylpiperidin-3-yl]phenol
  • 3-[(3r,5r)-5-[(methylthio)methyl]-1-propyl-3-piperidinyl]phenol
  • 3-[(3r,5r)-5-[(methylthio)methyl]-1-propyl-3-piperidyl]phenol
  • mmm-3-ppp
  • phenol, 3-(5-((methylthio)methyl)-1-propyl-3-piperidinyl)-, cis-(+-)-
CAS Number(s)
  • 97000-20-9
InChIKey SPUJNUMTARGTRY-HIFRSBDPSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N