ChemSpider 2D Image | (3R,4R)-1-(4-Iodobenzyl)-3-(1'H-spiro[indene-1,4'-piperidin]-1'-yl)-4-piperidinol | C25H29IN2O

(3R,4R)-1-(4-Iodobenzyl)-3-(1'H-spiro[indene-1,4'-piperidin]-1'-yl)-4-piperidinol

  • Molecular FormulaC25H29IN2O
  • Average mass500.415 Da
  • Monoisotopic mass500.132446 Da
  • ChemSpider ID8227252

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4R)-1-(4-Iodbenzyl)-3-(1'H-spiro[indene-1,4'-piperidin]-1'-yl)-4-piperidinol [German] [ACD/IUPAC Name]
(3R,4R)-1-(4-Iodobenzyl)-3-(1'H-spiro[indene-1,4'-piperidin]-1'-yl)-4-piperidinol [ACD/IUPAC Name]
(3R,4R)-1-(4-Iodobenzyl)-3-(1'H-spiro[indene-1,4'-piperidin]-1'-yl)-4-pipéridinol [French] [ACD/IUPAC Name]
(3R,4R)-1-(4-iodobenzyl)-3-(1'H-spiro[indene-1,4'-piperidin]-1'-yl)piperidin-4-ol
4-Piperidinol, 1-[(4-iodophenyl)methyl]-3-spiro[1H-indene-1,4'-piperidin]-1'-yl-, (3R,4R)- [ACD/Index Name]
1-(4-iodobenzyl)-3-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-yl-(3R,4R)-hexahydro-4-pyridinol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 592.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 312.2±30.1 °C
Index of Refraction: 1.701
Molar Refractivity: 127.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.25
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 18.45
ACD/KOC (pH 7.4): 93.53
Polar Surface Area: 27 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 63.7±5.0 dyne/cm
Molar Volume: 329.7±5.0 cm3

Click to predict properties on the Chemicalize site


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