ChemSpider 2D Image | (3R,4R)-4-(4-Methyl-1-piperazinyl)-1-[3-(1H-pyrazol-1-ylmethyl)benzyl]-3-piperidinol | C21H31N5O

(3R,4R)-4-(4-Methyl-1-piperazinyl)-1-[3-(1H-pyrazol-1-ylmethyl)benzyl]-3-piperidinol

  • Molecular FormulaC21H31N5O
  • Average mass369.504 Da
  • Monoisotopic mass369.252869 Da
  • ChemSpider ID22866382

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4R)-4-(4-Methyl-1-piperazinyl)-1-[3-(1H-pyrazol-1-ylmethyl)benzyl]-3-piperidinol [ACD/IUPAC Name]
(3R,4R)-4-(4-Methyl-1-piperazinyl)-1-[3-(1H-pyrazol-1-ylmethyl)benzyl]-3-piperidinol [German] [ACD/IUPAC Name]
(3R,4R)-4-(4-Méthyl-1-pipérazinyl)-1-[3-(1H-pyrazol-1-ylméthyl)benzyl]-3-pipéridinol [French] [ACD/IUPAC Name]
3-Piperidinol, 4-(4-methyl-1-piperazinyl)-1-[[3-(1H-pyrazol-1-ylmethyl)phenyl]methyl]-, (3R,4R)- [ACD/Index Name]
(3R*,4R*)-4-(4-methyl-1-piperazinyl)-1-[3-(1H-pyrazol-1-ylmethyl)benzyl]-3-piperidinol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 536.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.6±3.0 kJ/mol
Flash Point: 278.5±30.1 °C
Index of Refraction: 1.642
Molar Refractivity: 108.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.18
ACD/LogD (pH 5.5): -3.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 48 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 50.1±7.0 dyne/cm
Molar Volume: 300.8±7.0 cm3

Click to predict properties on the Chemicalize site


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