(1R,3R,4S,6R,7S,8R,10R)-8-Methoxy-10-Methyl-3-(1-Piperidinylmethyl)-2,9-Dioxatricyclo[4.3.1.0~3,7~]Decan-4-Ol

Molecule SVG Image

Properties Simple | Detailed

Formula C16H27NO4
IUPAC Name (1r,3r,4s,6r,7s,8r,10r)-8-methoxy-10-methyl-3-(1-piperidinylmethyl)-2,9-dioxatricyclo[4.3.1.0 3,7 ]decan-4-ol
Molecular Mass 297.390 g·mol−1
Heat of Formation -781.9 ± 16.7 kJ·mol−1
Dipole Moment 2.26 ± 1.08 D
Volume 361.87 Å 3
Surface Area 299.56 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 2.06 ± eV
Point Group Symmetry C1
Synonyms
  • (2r*,4r*,4as*,5r*,7s*,7ar*,8r*)-hexahydro-4-methoxy-8-methyl-7a(piperidinomethyl)-2,5-methanocyclopenta-m-dioxin-7-ol
  • 3alpha,7alpha-methano-5alpha-methoxy-10alpha-methyl-1beta-piperidinomethyl-2,4-dioxa-6beta-bicyclo(4.3.0)nonan-9beta-ol
  • valperinol
CAS Number(s)
  • 64860-67-9
InChIKey KZSHXABWNBVUTK-GBIHRFPISA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N