ChemSpider 2D Image | [1-(3-Chloro-4-isopropoxybenzyl)-4-(1-pyrrolidinylmethyl)-4-piperidinyl]methanol | C21H33ClN2O2

[1-(3-Chloro-4-isopropoxybenzyl)-4-(1-pyrrolidinylmethyl)-4-piperidinyl]methanol

  • Molecular FormulaC21H33ClN2O2
  • Average mass380.952 Da
  • Monoisotopic mass380.223053 Da
  • ChemSpider ID35040321

More details:

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

[1-(3-Chlor-4-isopropoxybenzyl)-4-(1-pyrrolidinylmethyl)-4-piperidinyl]methanol [German] [ACD/IUPAC Name]
[1-(3-Chloro-4-isopropoxybenzyl)-4-(1-pyrrolidinylmethyl)-4-piperidinyl]methanol [ACD/IUPAC Name]
[1-(3-Chloro-4-isopropoxybenzyl)-4-(1-pyrrolidinylméthyl)-4-pipéridinyl]méthanol [French] [ACD/IUPAC Name]
4-Piperidinemethanol, 1-[[3-chloro-4-(1-methylethoxy)phenyl]methyl]-4-(1-pyrrolidinylmethyl)- [ACD/Index Name]
(1-{[3-CHLORO-4-(PROPAN-2-YLOXY)PHENYL]METHYL}-4-[(PYRROLIDIN-1-YL)METHYL]PIPERIDIN-4-YL)METHANOL
[1-(3-chloro-4-isopropoxybenzyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
{1-[(3-CHLORO-4-ISOPROPOXYPHENYL)METHYL]-4-(PYRROLIDIN-1-YLMETHYL)PIPERIDIN-4-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: 479.9±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±3.0 kJ/mol
Flash Point: 244.0±24.6 °C
Index of Refraction: 1.553
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: 3.57
ACD/LogD (pH 5.5): -0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.50
Polar Surface Area: 36 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 335.6±3.0 cm3

Click to predict properties on the Chemicalize site


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