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Search term: YPFMNHZRNXPYBG-UHFFFAOYAP
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Inherent Properties, Identifiers and References
ChemSpider ID: 92693
Empirical Formula: C15H20ClNO3
Molecular Weight: 297.7772
Nominal Mass: 297 Da
Average Mass: 297.7772 Da
Monoisotopic Mass: 297.113171 Da
Systematic Name: ethyl 1-benzyl-4-oxo-piperidine-3-carboxylate hydrochloride
SMILES: Cl.O=C2CCN(Cc1ccccc1)CC2C(=O)OCC
InChI: InChI=1/C15H19NO3.ClH/c1-2-19-15(18)13-11-16(9-8-14(13)17)10-12-6​-4-3-5-7-12;/h3-7,13H,2,8-11H2,1H3;1H
InChIKey: YPFMNHZRNXPYBG-UHFFFAOYAP
Std. InChI: InChI=1S/C15H19NO3.ClH/c1-2-19-15(18)13-11-16(9-8-14(13)17)10-12-​6-4-3-5-7-12;/h3-7,13H,2,8-11H2,1H3;1H
Std. InChIKey: YPFMNHZRNXPYBG-UHFFFAOYSA-N
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  • experimental physchem properties
    • Melting Point: ca 170 dec.
  • miscellaneous
Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

1454-53-1​ [RN]

1-Benzyl-​3-ethoxyc​arbonyl-4​-piperido​ne HCl

1-Benzyl-​4-oxonipe​cotic aci​d ethyl e​ster hydr​ochloride

3-Piperid​inecarbox​ylic acid​, 4-oxo-1​-(phenylm​ethyl)-, ​ethyl est​er, hydro​chloride

3-piperid​inecarbox​ylic acid​, 4-oxo-1​-(phenylm​ethyl)-, ​ethyl est​er, hydro​chloride ​(1:1)

Ethyl 1-b​enzyl-4-o​xonipecot​inate hyd​rochloride

Ethyl 1-b​enzyl-4-o​xopiperid​ine-3-car​boxylate ​hydrochlo​ride (1:1)

Ethyl 4-o​xo-1-(phe​nylmethyl​)-3-piper​idinecarb​oxylate h​ydrochlor​ide

T6N DVTJ ​A1R& CVO2​ &&HCl

1454-53-1 [RN]

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Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

ACD/LogP: 1.85 # of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 1.27 ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 5.5): 3.98 ACD/BCF (pH 7.4): 14.41
ACD/KOC (pH 5.5): 64.24 ACD/KOC (pH 7.4): 232.65
#H bond acceptors: 4 #H bond donors: 0
#Freely Rotating Bonds: 5 Polar Surface Area: 46.61 Å2
Index of Refraction: Molar Refractivity: cm3
Molar Volume: cm3 Polarizability: 10-24cm3
Surface Tension: dyne/cm Density: g/cm3
Flash Point: 183.4 °C Enthalpy of Vaporization: 62.78 kJ/mol
Boiling Point: 379.7 °C at 760 mmHg Vapour Pressure: 5.74E-06 mmHg at 25°C