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(±)-Trihexyphenidyl Hydrochloride
CAS: 52-49-3 | C20H32ClNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
52-49-3
Molecular Formula:
C20H32ClNO
Molecular Mass:
337.94 g/mol
Names and Synonyms:
(±)-Trihexyphenidyl Hydrochloride
1-Piperidinepropanol, α-cyclohexyl-α-phenyl-, hydrochloride (1:1)
1-Piperidinepropanol, α-cyclohexyl-α-phenyl-, hydrochloride
Alpha-Cyclohexyl-alpha-phenyl-1-piperidinepropanol hydrochloride
Artane
Artane hydrochloride
Benzhexol hydrochloride
α-Cyclohexyl-α-phenyl-1-piperidinepropanol hydrochloride
Pacitane
Pargitan
Peragit
1-Phenyl-1-cyclohexyl-3-piperidyl-1-propanol hydrochloride
Pipanol
3-(1-Piperidyl)-1-cyclohexyl-1-phenyl-1-propanol hydrochloride
3-(1-Piperidyl)-1-phenyl-1-cyclohexyl-1-propanol hydrochloride
Tremin
Trihexyphenidyl hydrochloride
Benzhexol chloride
Parkopan
Cyclodol
Romparkin
Parcopane
Tsiklodol
Parkisan
Partigan
Parkidyl
Trihexy
Trihexyphenidyl chlorhydrate
Parkinsan
(±)-Trihexyphenidyl hydrochloride
Triphenidyl
Parkinane
Paralest
Aparkane
Sedrina
Broflex
Antitrem
Triphedinon
Parkinol
1-Cyclohexyl-1-phenyl-3-(piperidin-1-yl)propan-1-ol hydrochloride
Identifiers:
SMILES:
Cl.OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1
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
Key Properties
Melting Point
258.5 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 337.94 g/mol | CAS Common Chemistry |
| 337.93500000000023 g/mol | RDKit | |
| 337.217242324 g/mol | RDKit | |
| 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 |
| LogP | 4.752300000000004 | RDKit |
| Molar Refractivity | 99.06980000000007 | RDKit |
