Back to Search
Molecule
Biperiden Hydrochloride
CAS: 1235-82-1 · C21H30ClNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1235-82-1
- Molecular Formula
- C21H30ClNO
- Molecular Mass
- 347.93 g/mol
Identifiers
CAS Registry Number
1235-82-1
SMILES
Cl.OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2
InChI Key
RDNLAULGBSQZMP-UHFFFAOYSA-N
InChI
InChI=1S/C21H29NO.ClH/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17;/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2;1H
Names and Synonyms
- Biperiden Hydrochloride Common Name
- 1-Piperidinepropanol, α-bicyclo[2.2.1]hept-5-en-2-yl-α-phenyl-, hydrochloride (1:1) Synonym
- 1-Piperidinepropanol, α-5-norbornen-2-yl-α-phenyl-, hydrochloride Synonym
- 1-Piperidinepropanol, α-bicyclo[2.2.1]hept-5-en-2-yl-α-phenyl-, hydrochloride Synonym
- Akineton hydrochloride Synonym
- α-(Bicyclo[2.2.1]hept-5-en-2-yl)-α-phenyl-1-piperidinepropanol hydrochloride Synonym
- Biperidene hydrochloride Synonym
- Biperiden hydrochloride Synonym
- Akinophyl Synonym
- NSC 170950 Synonym
- NSC 84989 Synonym
- Tasmolin Synonym
- 1-(Bicyclo[2.2.1]hept-5-en-2-yl)-1-phenyl-3-(piperidin-1-yl)propan-1-ol hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 347.93 g/mol | CAS Common Chemistry |
| 347.9300000000001 g/mol | RDKit | |
| 347.927 g/mol | chempirical lib | |
| Canonical SMILES | Cl.OC(C=1C=CC=CC1)(CCN2CCCCC2)C3CC4C=CC3C4 | CAS Common Chemistry |
| InChI | InChI=1S/C21H29NO.ClH/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17;/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=RDNLAULGBSQZMP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 275 °C (decomp) | CAS Common Chemistry |
| Name | Biperiden hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 24 | 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 | 4.384200000000004 | RDKit |
| 4.3842 | RDKit | |
| Molar Refractivity | 101.33880000000006 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.619 | RDKit |
| 0.62 | chempirical lib | |
| Exact Mass | 347.20159226 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 347.93 g/mol. Edit any field — others recompute live.
