ChemSpider 2D Image | (1S)-1-(4-Fluorophenyl)-4-[4-(2-pyridinyl)-1-piperazinyl]-1-butanol | C19H24FN3O

(1S)-1-(4-Fluorophenyl)-4-[4-(2-pyridinyl)-1-piperazinyl]-1-butanol

  • Molecular FormulaC19H24FN3O
  • Average mass329.412 Da
  • Monoisotopic mass329.190338 Da
  • ChemSpider ID23207410

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-1-(4-Fluorophenyl)-4-[4-(2-pyridinyl)-1-piperazinyl]-1-butanol [ACD/IUPAC Name]
(1S)-1-(4-Fluorophényl)-4-[4-(2-pyridinyl)-1-pipérazinyl]-1-butanol [French] [ACD/IUPAC Name]
(1S)-1-(4-fluorophenyl)-4-[4-(pyridin-2-yl)piperazin-1-yl]butan-1-ol
(1S)-1-(4-Fluorphenyl)-4-[4-(2-pyridinyl)-1-piperazinyl]-1-butanol [German] [ACD/IUPAC Name]
1-Piperazinebutanol, α-(4-fluorophenyl)-4-(2-pyridinyl)-, (αS)- [ACD/Index Name]
(S)-1-(4-Fluoro-phenyl)-4-(4-pyridin-2-yl-piperazin-1-yl)-butan-1-ol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL339963/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 501.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±3.0 kJ/mol
Flash Point: 257.2±30.1 °C
Index of Refraction: 1.577
Molar Refractivity: 92.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.13
ACD/LogD (pH 5.5): -0.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.61
ACD/BCF (pH 7.4): 5.77
ACD/KOC (pH 7.4): 64.91
Polar Surface Area: 40 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 279.7±3.0 cm3

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