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Molecule
(±)-Trihexyphenidyl Hydrochloride
CAS: 52-49-3 · C20H32ClNO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 52-49-3
- Molecular Formula
- C20H32ClNO
- Molecular Mass
- 337.94 g/mol
Identifiers
CAS Registry Number
52-49-3
SMILES
Cl.OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1
InChI Key
QDWJJTJNXAKQKD-UHFFFAOYSA-N
InChI
InChI=1S/C20H31NO.ClH/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;1H
Names and Synonyms
- (±)-Trihexyphenidyl Hydrochloride Common Name
- 1-Piperidinepropanol, α-cyclohexyl-α-phenyl-, hydrochloride (1:1) Synonym
- 1-Piperidinepropanol, α-cyclohexyl-α-phenyl-, hydrochloride Synonym
- Alpha-Cyclohexyl-alpha-phenyl-1-piperidinepropanol hydrochloride Synonym
- Artane Synonym
- Artane hydrochloride Synonym
- Benzhexol hydrochloride Synonym
- α-Cyclohexyl-α-phenyl-1-piperidinepropanol hydrochloride Synonym
- Pacitane Synonym
- Pargitan Synonym
- Peragit Synonym
- 1-Phenyl-1-cyclohexyl-3-piperidyl-1-propanol hydrochloride Synonym
- Pipanol Synonym
- 3-(1-Piperidyl)-1-cyclohexyl-1-phenyl-1-propanol hydrochloride Synonym
- 3-(1-Piperidyl)-1-phenyl-1-cyclohexyl-1-propanol hydrochloride Synonym
- Tremin Synonym
- Trihexyphenidyl hydrochloride Synonym
- Benzhexol chloride Synonym
- Parkopan Synonym
- Cyclodol Synonym
- Romparkin Synonym
- Parcopane Synonym
- Tsiklodol Synonym
- Parkisan Synonym
- Partigan Synonym
- Parkidyl Synonym
- Trihexy Synonym
- Trihexyphenidyl chlorhydrate Synonym
- Parkinsan Synonym
- (±)-Trihexyphenidyl hydrochloride Synonym
- Triphenidyl Synonym
- Parkinane Synonym
- Paralest Synonym
- Aparkane Synonym
- Sedrina Synonym
- Broflex Synonym
- Antitrem Synonym
- Triphedinon Synonym
- Parkinol Synonym
- 1-Cyclohexyl-1-phenyl-3-(piperidin-1-yl)propan-1-ol hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 337.94 g/mol | CAS Common Chemistry |
| 337.93500000000023 g/mol | RDKit | |
| 337.935 g/mol | RDKit | |
| 337.932 g/mol | chempirical lib | |
| Canonical SMILES | Cl.OC(C=1C=CC=CC1)(CCN2CCCCC2)C3CCCCC3 | CAS Common Chemistry |
| InChI | InChI=1S/C20H31NO.ClH/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;1H | CAS Common Chemistry |
| InChI Key | InChIKey=QDWJJTJNXAKQKD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 258.5 °C | CAS Common Chemistry |
| Name | (±)-Trihexyphenidyl hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 23.47 Ų | RDKit |
| 23.24 Ų | chempirical lib | |
| LogP | 4.752300000000004 | RDKit |
| 4.7523 | RDKit | |
| Molar Refractivity | 99.06980000000007 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7 | RDKit |
| Exact Mass | 337.217242324 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 337.94 g/mol. Edit any field — others recompute live.
