ChemSpider 2D Image | (3R,4R)-1-(4-Fluoro-2-methoxybenzyl)-4-[4-(2-pyridinyl)-1-piperazinyl]-3-piperidinol | C22H29FN4O2

(3R,4R)-1-(4-Fluoro-2-methoxybenzyl)-4-[4-(2-pyridinyl)-1-piperazinyl]-3-piperidinol

  • Molecular FormulaC22H29FN4O2
  • Average mass400.490 Da
  • Monoisotopic mass400.227448 Da
  • ChemSpider ID22864282

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4R)-1-(4-Fluor-2-methoxybenzyl)-4-[4-(2-pyridinyl)-1-piperazinyl]-3-piperidinol [German] [ACD/IUPAC Name]
(3R,4R)-1-(4-Fluoro-2-methoxybenzyl)-4-[4-(2-pyridinyl)-1-piperazinyl]-3-piperidinol [ACD/IUPAC Name]
(3R,4R)-1-(4-Fluoro-2-méthoxybenzyl)-4-[4-(2-pyridinyl)-1-pipérazinyl]-3-pipéridinol [French] [ACD/IUPAC Name]
3-Piperidinol, 1-[(4-fluoro-2-methoxyphenyl)methyl]-4-[4-(2-pyridinyl)-1-piperazinyl]-, (3R,4R)- [ACD/Index Name]
(3R*,4R*)-1-(4-fluoro-2-methoxybenzyl)-4-[4-(2-pyridinyl)-1-piperazinyl]-3-piperidinol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 545.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.8±3.0 kJ/mol
Flash Point: 283.8±30.1 °C
Index of Refraction: 1.603
Molar Refractivity: 110.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.13
ACD/LogD (pH 5.5): -1.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 1.09
ACD/KOC (pH 7.4): 13.11
Polar Surface Area: 52 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 320.7±3.0 cm3

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