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

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Properties Simple | Detailed

Formula C26H33IN2O
IUPAC Name (1s,3r,4r)-1-[(3-iodophenyl)methyl]-3-spiro[piperidine-4,1'-tetralin]-1-yl-piperidin-4-ol
Molecular Mass 516.457 g·mol−1
Heat of Formation 6.1 ± 16.7 kJ·mol−1
Dipole Moment 6.17 ± 1.08 D
Volume 542.84 Å 3
Surface Area 445.72 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -0.20 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4r)-1-(3-iodobenzyl)-3-spiro[piperidine-4,1'-tetralin]-1-yl-piperidin-4-ol
  • (3r,4r)-1-[(3-iodophenyl)methyl]-3-(1-spiro[piperidine-4,1'-tetralin]yl)-4-piperidinol
  • (3r,4r)-1-[(3-iodophenyl)methyl]-3-spiro[2,3-dihydro-1h-naphthalene-4,4'-piperidine]-1'-yl-piperidin-4-ol
  • (3r,4r)-1-[(3-iodophenyl)methyl]-3-spiro[2,3-dihydro-1h-naphthalene-4,4'-piperidine]-1'-ylpiperidin-4-ol
  • (3r,4r)-1-[(3-iodophenyl)methyl]-3-spiro[piperidine-4,1'-tetralin]-1-yl-piperidin-4-ol
  • 1'-(1-(3-iodobenzyl)-4-hydroxypiperidin-3-yl)-3,4-dihydrospiro(naphthalene-1(2h),4'-piperidine)
  • 3-ippps-naphthalene
CAS Number(s)
  • 158628-72-9
InChIKey KOIJWARRGDEZPX-JWQCQUIFSA-N
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