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Trihexyphenidyl

C20H31NO — CID 5572

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol
SMILESOC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1
InChIInChI=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
InChIKeyHWHLPVGTWGOCJO-UHFFFAOYSA-N
MW301.47 g/mol
LogP4.33
Rot. Bonds5

About Trihexyphenidyl

Trihexyphenidyl (PubChem CID 5572) has the molecular formula C20H31NO and a molecular weight of 301.47 g/mol. Its IUPAC name is 1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol.

Molecular Properties

Compound NameTrihexyphenidyl
PubChem CID5572
Molecular FormulaC20H31NO
Molecular Weight301.47 g/mol
Exact Mass301.24
IUPAC Name1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol
SMILESOC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1
InChIInChI=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
InChIKeyHWHLPVGTWGOCJO-UHFFFAOYSA-N
XLogP4.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Biperiden
CID 2381
Procyclidine
CID 4919
Pridinol
CID 4904
Diphenidol
CID 3055
Azacyclonol
CID 15723
Pipradrol
CID 10083
Cycrimine
CID 2911

Frequently Asked Questions

What is the IUPAC name of Trihexyphenidyl?
The IUPAC name of Trihexyphenidyl (CID 5572) is 1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol.
What is the SMILES notation for Trihexyphenidyl?
The canonical SMILES for Trihexyphenidyl is OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1.
What is the InChIKey of Trihexyphenidyl?
The InChIKey is HWHLPVGTWGOCJO-UHFFFAOYSA-N. The full InChI is 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.
What are the key properties of Trihexyphenidyl?
Trihexyphenidyl has a molecular weight of 301.47 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Trihexyphenidyl is sourced from PubChem (CID 5572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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