(3S,4S)-3-(2,3-Dihydro-1'H-Spiro[Indene-1,4'-Piperidin]-1'-Yl)-1-(3-Iodobenzyl)-4-Piperidinol

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Properties Simple | Detailed

Formula C25H31IN2O
IUPAC Name (1r,3s,4s)-1-[(3-iodophenyl)methyl]-3-spiro[indane-1,4'-piperidine]-1'-yl-piperidin-4-ol
Molecular Mass 502.431 g·mol−1
Heat of Formation 34.3 ± 16.7 kJ·mol−1
Dipole Moment 5.20 ± 1.08 D
Volume 524.95 Å 3
Surface Area 431.16 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,4s)-1-(3-iodobenzyl)-3-spiro[indane-1,4'-piperidine]-1'-yl-piperidin-4-ol
  • (3s,4s)-1-[(3-iodophenyl)methyl]-3-(1'-spiro[indane-1,4'-piperidine]yl)-4-piperidinol
  • (3s,4s)-1-[(3-iodophenyl)methyl]-3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl-piperidin-4-ol
  • (3s,4s)-1-[(3-iodophenyl)methyl]-3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpiperidin-4-ol
  • (3s,4s)-1-[(3-iodophenyl)methyl]-3-spiro[indane-1,4'-piperidine]-1'-yl-piperidin-4-ol
  • 1'-(1-(3-iodobenzyl)-4-hydroxypiperidin-3-yl)-2,3-dihydrospiro(indene-1,4'-piperidine)
  • 3-ipppds-indene
CAS Number(s)
  • 158628-56-9
InChIKey SKMFMSUPYCIHLQ-ZEQRLZLVSA-N
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