Isoxazole, 3-phenyl-5-(3-piperidinopropyl)-, hydrochloride
Basic information
- CAS
1090-85-3- Standard SMILES
[Cl-].c1ccc(-c2cc(CCC[NH+]3CCCCC3)on2)cc1- InChIKey
MLRHTHUQODBLDB-UHFFFAOYSA-N- Molecular formula
- C17H23ClN2O
- Average molar mass
- 306.8 g/mol
- Monoisotopic mass
- 306.1498911
Names & identifiers
- Preferred name
- Isoxazole, 3-phenyl-5-(3-piperidinopropyl)-, hydrochloride
- IUPAC
- 3-phenyl-5-(3-piperidin-1-ium-1-ylpropyl)-1,2-oxazole chloride
Names & synonyms
3-Phenyl-5-(3-piperidinopropyl)isoxazole hydrochloride1090-85-3ISOXAZOLE, 3-PHENYL-5-(3-PIPERIDINOPROPYL)-, HYDROCHLORIDERefChem:350219
Database identifiers
- CAS
1090-85-3- PubChem CID
- 14162
Properties
Computed structural properties
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 272
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Compound notes
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