Basic information
- CAS
5500-11-8- Standard SMILES
Clc1ccc(-c2cc(C[NH+]3CCCCC3)on2)cc1.[Cl-]- InChIKey
QBJARSHSMWQTGG-UHFFFAOYSA-N- Molecular formula
- C15H18Cl2N2O
- Average molar mass
- 313.2 g/mol
- Monoisotopic mass
- 312.0796186
Names & identifiers
- Preferred name
- Isoxazole, 3-(p-chlorophenyl)-5-(piperidinomethyl)-, hydrochloride
- IUPAC
- 3-(4-chlorophenyl)-5-(piperidin-1-ium-1-ylmethyl)-1,2-oxazole chloride
Names & synonyms
3-(p-Chlorophenyl)-5-(piperidinomethyl)isoxazole hydrochloride5500-11-8ISOXAZOLE, 3-(p-CHLOROPHENYL)-5-(PIPERIDINOMETHYL)-, HYDROCHLORIDERefChem:350211
Database identifiers
- CAS
5500-11-8- PubChem CID
- 21669
Properties
Computed structural properties
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 275
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…