Molecule card · MolClass #1718
Biperiden hydrochloride
Biperiden hydrochloride: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- Biperiden hydrochlorideFlucanozole Synergizer · compound_name
- MolClass ID
- 1718
- InChIKey
- YSXKPIUOCJLQIE-BDWAOYLISA-N
- Canonical SMILES
- OC(CCN1CCCCC1)(c2ccccc2)C4CC3C=CC4(C3)
- Standard 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/t17-,18+,20?,21?/m1/s1
- Stored Murcko scaffold
- c1ccc(cc1)C(CCN2CCCCC2)C3CC4C=CC3C4
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 23.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 311.462 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.104
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Flucanozole Synergizer
Dataset #3 · Biperiden hydrochloride