Chemical Properties of Trihexyphenidyl (CAS 144-11-6)

InChI

InChI=1S/C20H31NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2

InChI Key

HWHLPVGTWGOCJO-UHFFFAOYSA-N

Formula

C20H31NO

SMILES

OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1

Molecular Weight¹

301.47

CAS

144-11-6

Other Names

• 1-Piperidinepropanol, «alpha»-cyclohexyl-«alpha»-phenyl-
• 1-Piperidinepropanol, «alpha»-cyclohexyl-«alpha»-phenyl-
• 1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol
• Benzhexol
• Parkinane retard
• Sedrena (free base)
• Trihexylphenidyl
• Trihexylphenidyle
• Trihexylphenizyl
• Triphenidyl
• «alpha»-Cyclohexyl-«alpha»-phenyl-1-piperidinepropanol
• «alpha»-Cyclohexyl-«alpha»-phenyl-1-piperidinepropanol

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-1.81		Aq. Sol...
logPoct/wat	4.331		Crippen Calculated Property
McVol	263.030	ml/mol	McGowan Calculated Property
Inp	[2211.00; 2260.00]
Inp	2260.00		NIST
Inp	2226.00		NIST
Inp	2236.00		NIST
Inp	2233.00		NIST
Inp	2211.00		NIST
Tfus	387.65	K	Aq. Sol...

Similar Compounds

Find more compounds similar to Trihexyphenidyl.

Sources

• Crippen Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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