Basic information
- CAS
1219-16-5- Standard SMILES
[Cl-].c1ccc(-c2cc(C[NH+]3CCCCC3)on2)cc1- InChIKey
QLCZHLCZGFVWRO-UHFFFAOYSA-N- Molecular formula
- C15H19ClN2O
- Average molar mass
- 278.78 g/mol
- Monoisotopic mass
- 278.1185909
Names & identifiers
- Preferred name
- Isoxazole, 3-phenyl-5-(piperidinomethyl)-, hydrochloride
- IUPAC
- 3-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2-oxazole chloride
Names & synonyms
3-Phenyl-5-(piperidinomethyl)isoxazole hydrochloride1219-16-5ISOXAZOLE, 3-PHENYL-5-(PIPERIDINOMETHYL)-, HYDROCHLORIDERefChem:350220
Database identifiers
- CAS
1219-16-5- PubChem CID
- 14635
Properties
Computed structural properties
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 247
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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