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Search term: ZOPGTBBMQNHJJA-UHFFFAOYAM
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Inherent Properties, Identifiers and References
ChemSpider ID: 107670
Empirical Formula: C17H26ClNO2
Molecular Weight: 311.8468
Nominal Mass: 311 Da
Average Mass: 311.8468 Da
Monoisotopic Mass: 311.165207 Da
Systematic Name: (2,6-diethylphenyl) 2-(1-piperidyl)acetate hydrochloride
SMILES: O=C(Oc1c(cccc1CC)CC)CN2CCCCC2.Cl
InChI: InChI=1/C17H25NO2.ClH/c1-3-14-9-8-10-15(4-2)17(14)20-16(19)13-18-​11-6-5-7-12-18;/h8-10H,3-7,11-13H2,1-2H3;1H
InChIKey: ZOPGTBBMQNHJJA-UHFFFAOYAM
Std. InChI: InChI=1S/C17H25NO2.ClH/c1-3-14-9-8-10-15(4-2)17(14)20-16(19)13-18​-11-6-5-7-12-18;/h8-10H,3-7,11-13H2,1-2H3;1H
Std. InChIKey: ZOPGTBBMQNHJJA-UHFFFAOYSA-N
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Names and Synonyms

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1877-49-2 [RN]

1-Piperid​ineacetic​ acid, 2,​6-diethyl​phenyl es​ter, hydr​ochloride

2,6-Dieth​ylphenyl ​ester of ​1-piperid​ineacetic​ acid hyd​rochloride

Database ID(s)

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ACD/LogP: 4.79 # of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 3.18 ACD/LogD (pH 7.4): 4.61
ACD/BCF (pH 5.5): 64.01 ACD/BCF (pH 7.4): 1696.48
ACD/KOC (pH 5.5): 239.65 ACD/KOC (pH 7.4): 6351.22
#H bond acceptors: 3 #H bond donors: 0
#Freely Rotating Bonds: 6 Polar Surface Area: 29.54 Å2
Index of Refraction: Molar Refractivity: cm3
Molar Volume: cm3 Polarizability: 10-24cm3
Surface Tension: dyne/cm Density: g/cm3
Flash Point: 131.6 °C Enthalpy of Vaporization: 64.27 kJ/mol
Boiling Point: 392.9 °C at 760 mmHg Vapour Pressure: 2.21E-06 mmHg at 25°C