Chemical Properties of 1-Methyl-4-phenyl-4-propionoxypiperidine (CAS 13147-09-6)

InChI

InChI=1S/C15H21NO2/c1-3-14(17)18-15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3

InChI Key

BCQMRZRAWHNSBF-UHFFFAOYSA-N

Formula

C15H21NO2

SMILES

CCC(=O)OC1(c2ccccc2)CCN(C)CC1

Molecular Weight¹

247.33

CAS

13147-09-6

Other Names

• 3-Desmethylprodine

• 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	-1.28		Relay (1.0) Calculated Property
logPoct/wat	2.561		Crippen Calculated Property
McVol	205.010	ml/mol	McGowan Calculated Property
Inp	[1787.00; 1787.00]
Inp	1787.00		NIST
Inp	1787.00		NIST
Tboil	578.82	K	Relay (1.0) Calculated Property
Tfus	357.09	K	Relay (1.0) Calculated Property

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 1-Methyl-4-phenyl-4-propionoxypiperidine.

Sources

• 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

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