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Biperiden
CAS: 514-65-8 | C21H29NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
514-65-8
Molecular Formula:
C21H29NO
Molecular Mass:
311.47 g/mol
Names and Synonyms:
Biperiden
1-Piperidinepropanol, α-bicyclo[2.2.1]hept-5-en-2-yl-α-phenyl-
1-Piperidinepropanol, α-5-norbornen-2-yl-α-phenyl-
α-Bicyclo[2.2.1]hept-5-en-2-yl-α-phenyl-1-piperidinepropanol
α-(Bicyclo[2.2.1]hept-5-en-2-yl)-α-phenyl-1-piperidinopropanol
Biperiden
α-5-Norbornen-2-yl-α-phenyl-1-piperidinepropanol
KL 373
Akineton
1-(5-Bicyclo[2.2.1]hept-2-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol
Identifiers:
SMILES:
OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2
InChI:
InChI=1S/C21H29NO/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
Key Properties
Melting Point
114 °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 | 311.47 g/mol | CAS Common Chemistry |
| 311.46900000000005 g/mol | RDKit | |
| 311.224914548 g/mol | RDKit | |
| Canonical SMILES | OC(C=1C=CC=CC1)(CCN2CCCCC2)C3CC4C=CC3C4 | CAS Common Chemistry |
| InChI | InChI=1S/C21H29NO/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 | CAS Common Chemistry |
| InChI Key | InChIKey=YSXKPIUOCJLQIE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 114 °C | CAS Common Chemistry |
| Name | Biperiden | 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 | 3.9624000000000033 | RDKit |
| Molar Refractivity | 94.09080000000006 | RDKit |
