Isoxazole, 3-(p-chlorophenyl)-5-(2-piperidinoethyl)-, hydrochloride
Basic information
- CAS
5243-94-7- Standard SMILES
Clc1ccc(-c2cc(CC[NH+]3CCCCC3)on2)cc1.[Cl-]- InChIKey
MTQYKNDRCDUTEC-UHFFFAOYSA-N- Molecular formula
- C16H20Cl2N2O
- Average molar mass
- 327.2 g/mol
- Monoisotopic mass
- 326.0952687
Names & identifiers
- Preferred name
- Isoxazole, 3-(p-chlorophenyl)-5-(2-piperidinoethyl)-, hydrochloride
- IUPAC
- 3-(4-chlorophenyl)-5-(2-piperidin-1-ium-1-ylethyl)-1,2-oxazole chloride
Names & synonyms
3-(p-Chlorophenyl)-5-(2-piperidinoethyl)isoxazole hydrochloride5243-94-7ISOXAZOLE, 3-(p-CHLOROPHENYL)-5-(2-PIPERIDINOETHYL)-, HYDROCHLORIDERefChem:350209
Database identifiers
- CAS
5243-94-7- PubChem CID
- 21309
Properties
Computed structural properties
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 288
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…