Chemical Properties of Hydroxypethidine (CAS 468-56-4)

InChI

InChI=1S/C15H21NO3/c1-3-19-14(18)15(7-9-16(2)10-8-15)12-5-4-6-13(17)11-12/h4-6,11,17H,3,7-10H2,1-2H3

InChI Key

WTJBNMUWRKPFRS-UHFFFAOYSA-N

Formula

C15H21NO3

SMILES

CCOC(=O)C1(c2cccc(O)c2)CCN(C)CC1

Molecular Weight¹

263.33

CAS

468-56-4

Other Names

• 4-(m-Hydroxyphenyl)-1-methylpiperidine-4-carboxylic acid ethyl ester
• 4-Piperidinecarboxylic acid, 4-(3-hydroxyphenyl)-1-methyl-, ethyl ester
• 4-Piperidinecarboxylic acid, 4-(m-hydroxyphenyl)-1-methyl-, ethyl ester
• Bemidon
• Bemidone
• Biphenal
• Demidone
• Emidone
• Ethyl 4-(m-hydroxyphenyl)-1-methylisonipecotate
• Hoechst 10,446
• Hoechst no. 10,446
• Hoeschst 10446
• Hydroxypethidin
• Isonipecotic acid, 4-(m-hydroxyphenyl)-1-methyl-, ethyl ester
• Oxipethidine
• Oxydolantin
• Oxypetidin
• Win 771

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-1.41		Relay (1.0) Calculated Property
logPoct/wat	1.919		Crippen Calculated Property
McVol	210.880	ml/mol	McGowan Calculated Property
Inp	[2045.00; 2045.00]
Inp	2045.00		NIST
Inp	2045.00		NIST
Tboil	625.16	K	Relay (1.0) Calculated Property
Tfus	383.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to Hydroxypethidine.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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