ChemSpider 2D Image | (3S,4S)-1-(4-Fluoro-2-methoxybenzyl)-4-[4-(2-pyridinyl)-1-piperazinyl]-3-pyrrolidinol | C21H27FN4O2

(3S,4S)-1-(4-Fluoro-2-methoxybenzyl)-4-[4-(2-pyridinyl)-1-piperazinyl]-3-pyrrolidinol

  • Molecular FormulaC21H27FN4O2
  • Average mass386.463 Da
  • Monoisotopic mass386.211792 Da
  • ChemSpider ID22836264

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

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

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

Density: 1.3±0.1 g/cm3
Boiling Point: 534.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 276.7±30.1 °C
Index of Refraction: 1.614
Molar Refractivity: 105.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.08
ACD/LogD (pH 5.5): -2.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.05
Polar Surface Area: 52 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 57.1±3.0 dyne/cm
Molar Volume: 302.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement