ChemSpider 2D Image | 1-(4-sec-Butoxy-3-chlorobenzyl)-4-(1-pyrrolidinylmethyl)-4-piperidinol | C21H33ClN2O2

1-(4-sec-Butoxy-3-chlorobenzyl)-4-(1-pyrrolidinylmethyl)-4-piperidinol

  • Molecular FormulaC21H33ClN2O2
  • Average mass380.952 Da
  • Monoisotopic mass380.223053 Da
  • ChemSpider ID32074779

More details:

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

1-(4-sec-Butoxy-3-chlorbenzyl)-4-(1-pyrrolidinylmethyl)-4-piperidinol [German] [ACD/IUPAC Name]
1-(4-sec-Butoxy-3-chlorobenzyl)-4-(1-pyrrolidinylmethyl)-4-piperidinol [ACD/IUPAC Name]
1-(4-sec-Butoxy-3-chlorobenzyl)-4-(1-pyrrolidinylméthyl)-4-pipéridinol [French] [ACD/IUPAC Name]
4-Piperidinol, 1-[[3-chloro-4-(1-methylpropoxy)phenyl]methyl]-4-(1-pyrrolidinylmethyl)- [ACD/Index Name]
1-(4-sec-butoxy-3-chlorobenzyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
1-{[3-CHLORO-4-(SEC-BUTOXY)PHENYL]METHYL}-4-(PYRROLIDIN-1-YLMETHYL)PIPERIDIN-4-OL
1-{[4-(BUTAN-2-YLOXY)-3-CHLOROPHENYL]METHYL}-4-[(PYRROLIDIN-1-YL)METHYL]PIPERIDIN-4-OL

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

Density: 1.2±0.1 g/cm3
Boiling Point: 495.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 253.5±27.3 °C
Index of Refraction: 1.564
Molar Refractivity: 107.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.90
ACD/LogD (pH 5.5): -0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.11
Polar Surface Area: 36 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 330.5±3.0 cm3

Click to predict properties on the Chemicalize site


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