ChemSpider 2D Image | (1-{5-[(2-Fluoro-5-methoxybenzyl)amino]-5,6,7,8-tetrahydro-2-quinazolinyl}-4-piperidinyl)methanol | C22H29FN4O2

(1-{5-[(2-Fluoro-5-methoxybenzyl)amino]-5,6,7,8-tetrahydro-2-quinazolinyl}-4-piperidinyl)methanol

  • Molecular FormulaC22H29FN4O2
  • Average mass400.490 Da
  • Monoisotopic mass400.227448 Da
  • ChemSpider ID22122234

More details:






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

(1-{5-[(2-Fluor-5-methoxybenzyl)amino]-5,6,7,8-tetrahydro-2-chinazolinyl}-4-piperidinyl)methanol [German] [ACD/IUPAC Name]
(1-{5-[(2-Fluoro-5-methoxybenzyl)amino]-5,6,7,8-tetrahydro-2-quinazolinyl}-4-piperidinyl)methanol [ACD/IUPAC Name]
(1-{5-[(2-Fluoro-5-méthoxybenzyl)amino]-5,6,7,8-tétrahydro-2-quinazolinyl}-4-pipéridinyl)méthanol [French] [ACD/IUPAC Name]
4-Piperidinemethanol, 1-[5-[[(2-fluoro-5-methoxyphenyl)methyl]amino]-5,6,7,8-tetrahydro-2-quinazolinyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 607.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 320.9±34.3 °C
Index of Refraction: 1.609
Molar Refractivity: 109.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 23.80
ACD/KOC (pH 5.5): 213.29
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 112.76
ACD/KOC (pH 7.4): 1010.55
Polar Surface Area: 71 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 60.3±5.0 dyne/cm
Molar Volume: 315.9±5.0 cm3

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