ChemSpider 2D Image | (3R,4R)-1-[(5-Chloro-1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-{methyl[2-(2-pyridinyl)ethyl]amino}-3-piperidinol | C19H28ClN5O

(3R,4R)-1-[(5-Chloro-1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-{methyl[2-(2-pyridinyl)ethyl]amino}-3-piperidinol

  • Molecular FormulaC19H28ClN5O
  • Average mass377.911 Da
  • Monoisotopic mass377.198242 Da
  • ChemSpider ID23058928

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4R)-1-[(5-Chlor-1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-{methyl[2-(2-pyridinyl)ethyl]amino}-3-piperidinol [German] [ACD/IUPAC Name]
(3R,4R)-1-[(5-Chloro-1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-{methyl[2-(2-pyridinyl)ethyl]amino}-3-piperidinol [ACD/IUPAC Name]
(3R,4R)-1-[(5-Chloro-1,3-diméthyl-1H-pyrazol-4-yl)méthyl]-4-{méthyl[2-(2-pyridinyl)éthyl]amino}-3-pipéridinol [French] [ACD/IUPAC Name]
3-Piperidinol, 1-[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-[methyl[2-(2-pyridinyl)ethyl]amino]-, (3R,4R)- [ACD/Index Name]
(3R*,4R*)-1-[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-{methyl[2-(2-pyridinyl)ethyl]amino}-3-piperidinol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 529.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 273.8±30.1 °C
Index of Refraction: 1.623
Molar Refractivity: 105.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.05
ACD/LogD (pH 5.5): -0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.09
ACD/BCF (pH 7.4): 2.65
ACD/KOC (pH 7.4): 42.93
Polar Surface Area: 57 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 45.9±7.0 dyne/cm
Molar Volume: 298.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement