ChemSpider 2D Image | (3S,4S)-3-(2,3-Dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-1-(3-iodobenzyl)-4-piperidinol | C25H31IN2O

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

  • Molecular FormulaC25H31IN2O
  • Average mass502.431 Da
  • Monoisotopic mass502.148102 Da
  • ChemSpider ID165811

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4S)-3-(2,3-Dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-1-(3-iodbenzyl)-4-piperidinol [German] [ACD/IUPAC Name]
(3S,4S)-3-(2,3-Dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-1-(3-iodobenzyl)-4-piperidinol [ACD/IUPAC Name]
(3S,4S)-3-(2,3-Dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-1-(3-iodobenzyl)-4-pipéridinol [French] [ACD/IUPAC Name]
4-Piperidinol, 3-(2,3-dihydrospiro[1H-indene-1,4'-piperidin]-1'-yl)-1-[(3-iodophenyl)methyl]-, (3S,4S)- [ACD/Index Name]
(3s,4s)-3-(2,3-dihydro-1'h-spiro[indene-1,4'-piperidin]-1'-yl)-1-(3-iodobenzyl)piperidin-4-ol
(3S,4S)-3-{2,3-DIHYDROSPIRO[INDENE-1,4'-PIPERIDINE]-1'-YL}-1-[(3-IODOPHENYL)METHYL]PIPERIDIN-4-OL
1'-(1-(3-iodobenzyl)-4--hydroxypiperidin-3-yl)-2,3-dihydrospiro(indene-1,4'-piperidine)
1'-(1-(3-Iodobenzyl)-4-hydroxypiperidin-3-yl)-2,3-dihydrospiro(indene-1,4'-piperidine)
158628-56-9 [RN]
163314-08-7 [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: 595.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 314.0±30.1 °C
Index of Refraction: 1.684
Molar Refractivity: 127.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 1.04
ACD/KOC (pH 5.5): 4.40
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 30.03
ACD/KOC (pH 7.4): 126.45
Polar Surface Area: 27 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 62.0±5.0 dyne/cm
Molar Volume: 336.4±5.0 cm3

Click to predict properties on the Chemicalize site


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