ChemSpider 2D Image | (3R,4R)-4-(1-Azepanyl)-1-[(2-propyl-5-pyrimidinyl)methyl]-3-piperidinol | C19H32N4O

(3R,4R)-4-(1-Azepanyl)-1-[(2-propyl-5-pyrimidinyl)methyl]-3-piperidinol

  • Molecular FormulaC19H32N4O
  • Average mass332.484 Da
  • Monoisotopic mass332.257599 Da
  • ChemSpider ID22866468
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(3R,4R)-4-(1-Azepanyl)-1-[(2-propyl-5-pyrimidinyl)methyl]-3-piperidinol [ACD/IUPAC Name]
(3R,4R)-4-(1-Azepanyl)-1-[(2-propyl-5-pyrimidinyl)methyl]-3-piperidinol [German] [ACD/IUPAC Name]
(3R,4R)-4-(1-Azépanyl)-1-[(2-propyl-5-pyrimidinyl)méthyl]-3-pipéridinol [French] [ACD/IUPAC Name]
3-Piperidinol, 4-(hexahydro-1H-azepin-1-yl)-1-[(2-propyl-5-pyrimidinyl)methyl]-, (3R,4R)- [ACD/Index Name]
(3R*,4R*)-4-(1-azepanyl)-1-[(2-propyl-5-pyrimidinyl)methyl]-3-piperidinol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 469.7±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.1±3.0 kJ/mol
Flash Point: 237.9±22.9 °C
Index of Refraction: 1.566
Molar Refractivity: 97.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.91
ACD/LogD (pH 5.5): -1.19
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): 14.46
Polar Surface Area: 52 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 297.5±3.0 cm3

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