ChemSpider 2D Image | (3R,4R)-3-(3,4-Dihydro-1'H,2H-spiro[naphthalene-1,4'-piperidin]-1'-yl)-1-(3-iodobenzyl)-4-piperidinol | C26H33IN2O

(3R,4R)-3-(3,4-Dihydro-1'H,2H-spiro[naphthalene-1,4'-piperidin]-1'-yl)-1-(3-iodobenzyl)-4-piperidinol

  • Molecular FormulaC26H33IN2O
  • Average mass516.458 Da
  • Monoisotopic mass516.163757 Da
  • ChemSpider ID165812

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3R,4R)-3-(3,4-Dihydro-1'H,2H-spiro[naphthalene-1,4'-piperidin]-1'-yl)-1-(3-iodbenzyl)-4-piperidinol [German] [ACD/IUPAC Name]
(3R,4R)-3-(3,4-Dihydro-1'H,2H-spiro[naphthalene-1,4'-piperidin]-1'-yl)-1-(3-iodobenzyl)-4-piperidinol [ACD/IUPAC Name]
(3R,4R)-3-(3,4-Dihydro-1'H,2H-spiro[naphthalene-1,4'-piperidin]-1'-yl)-1-(3-iodobenzyl)-4-pipéridinol [French] [ACD/IUPAC Name]
(3r,4r)-3-(3,4-dihydro-1'h,2h-spiro[naphthalene-1,4'-piperidin]-1'-yl)-1-(3-iodobenzyl)piperidin-4-ol
4-Piperidinol, 3-(3,4-dihydrospiro[naphthalene-1(2H),4'-piperidin]-1'-yl)-1-[(3-iodophenyl)methyl]-, (3R,4R)- [ACD/Index Name]
1'-(1-(3-iodobenzyl)--4-hydroxypiperidin-3-yl)-3,4-dihydrospiro(naphthalene-1(2H),4'-piperidine)
1'-(1-(3-Iodobenzyl)-4-hydroxypiperidin-3-yl)-3,4-dihydrospiro(naphthalene-1(2H),4'-piperidine)
1-(3-iodobenzyl)-3-spiro[1,2,3,4-tetrahydronaphthalene-1,4'-(hexahydropyridine)]-1-yl-(3R,4R)-hexahydro-4-pyridinol
158628-72-9 [RN]
169114-48-1 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 609.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 322.1±31.5 °C
Index of Refraction: 1.674
Molar Refractivity: 132.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 2.20
ACD/KOC (pH 5.5): 7.49
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 63.19
ACD/KOC (pH 7.4): 215.37
Polar Surface Area: 27 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 60.7±5.0 dyne/cm
Molar Volume: 352.5±5.0 cm3

Click to predict properties on the Chemicalize site


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