ChemSpider 2D Image | [(3R,4R)-1-[(6-Chloro-2-quinolinyl)methyl]-4-(1-piperidinylmethyl)-3-pyrrolidinyl]methanol | C21H28ClN3O

[(3R,4R)-1-[(6-Chloro-2-quinolinyl)methyl]-4-(1-piperidinylmethyl)-3-pyrrolidinyl]methanol

  • Molecular FormulaC21H28ClN3O
  • Average mass373.919 Da
  • Monoisotopic mass373.192078 Da
  • ChemSpider ID29686553

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(3R,4R)-1-[(6-Chlor-2-chinolinyl)methyl]-4-(1-piperidinylmethyl)-3-pyrrolidinyl]methanol [German] [ACD/IUPAC Name]
[(3R,4R)-1-[(6-Chloro-2-quinoléinyl)méthyl]-4-(1-pipéridinylméthyl)-3-pyrrolidinyl]méthanol [French] [ACD/IUPAC Name]
[(3R,4R)-1-[(6-Chloro-2-quinolinyl)methyl]-4-(1-piperidinylmethyl)-3-pyrrolidinyl]methanol [ACD/IUPAC Name]
3-Pyrrolidinemethanol, 1-[(6-chloro-2-quinolinyl)methyl]-4-(1-piperidinylmethyl)-, (3R,4R)- [ACD/Index Name]
[(3R*,4R*)-1-[(6-chloroquinolin-2-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: 1.2±0.1 g/cm3
Boiling Point: 491.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.9±3.0 kJ/mol
Flash Point: 251.1±25.9 °C
Index of Refraction: 1.618
Molar Refractivity: 107.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.48
ACD/LogD (pH 5.5): -1.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.07
Polar Surface Area: 40 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 307.1±3.0 cm3

Click to predict properties on the Chemicalize site


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