ChemSpider 2D Image | [(3R,4R)-1-[(2-Isopropyl-5-pyrimidinyl)methyl]-4-(1-piperidinylmethyl)-3-pyrrolidinyl]methanol | C19H32N4O

[(3R,4R)-1-[(2-Isopropyl-5-pyrimidinyl)methyl]-4-(1-piperidinylmethyl)-3-pyrrolidinyl]methanol

  • Molecular FormulaC19H32N4O
  • Average mass332.484 Da
  • Monoisotopic mass332.257599 Da
  • ChemSpider ID29532126

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(3R,4R)-1-[(2-Isopropyl-5-pyrimidinyl)methyl]-4-(1-piperidinylmethyl)-3-pyrrolidinyl]methanol [German] [ACD/IUPAC Name]
[(3R,4R)-1-[(2-Isopropyl-5-pyrimidinyl)methyl]-4-(1-piperidinylmethyl)-3-pyrrolidinyl]methanol [ACD/IUPAC Name]
[(3R,4R)-1-[(2-Isopropyl-5-pyrimidinyl)méthyl]-4-(1-pipéridinylméthyl)-3-pyrrolidinyl]méthanol [French] [ACD/IUPAC Name]
3-Pyrrolidinemethanol, 1-[[2-(1-methylethyl)-5-pyrimidinyl]methyl]-4-(1-piperidinylmethyl)-, (3R,4R)- [ACD/Index Name]
[(3R*,4R*)-1-[(2-isopropylpyrimidin-5-yl)methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 432.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.6±3.0 kJ/mol
Flash Point: 215.4±23.2 °C
Index of Refraction: 1.551
Molar Refractivity: 97.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.58
ACD/LogD (pH 5.5): -2.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 52 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 304.3±3.0 cm3

Click to predict properties on the Chemicalize site


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