Basic information
- CAS
7041-79-4- Standard SMILES
Cl.OCCCN1CCCCC1c1cc(-c2ccccc2)no1- InChIKey
STVJYMQMZHMCHU-UHFFFAOYSA-N- Molecular formula
- C17H23ClN2O2
- Average molar mass
- 322.8 g/mol
- Monoisotopic mass
- 322.1448057
Names & identifiers
- Preferred name
- 1-Piperidinepropanol, alpha-(3-phenyl-5-isoxazolyl)-, monohydrochloride
- IUPAC
- 3-[2-(3-phenyl-1,2-oxazol-5-yl)piperidin-1-yl]propan-1-ol;hydrochloride
Names & synonyms
1-Propanol, 3-piperidino-1-(3-phenyl-5-isoxazolyl)-, hydrochloride7041-79-43-Phenyl-5-(1-hydroxy-3-piperidinopropyl)isoxazole hydrochlorideIsoxazole, 5-(1-hydroxy-3-piperidinopropyl)-3-phenyl-, hydrochloride1-Piperidinepropanol, alpha-(3-phenyl-5-isoxazolyl)-, monohydrochloride1-Propanol, (1-(3-phenyl-5-isoxazolyl))-3-piperidino-, hydrochloride3-Isoxazolemethanol, 3-phenyl-alpha-(2-piperidinoethyl)-, hydrochlorideRefChem:234435DTXSID809906173-[2-(3-Phenyl-1,2-oxazol-5-yl)piperidin-1-yl]propan-1-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
7041-79-4- PubChem CID
- 201882
- DTXSID
DTXSID80990617
Properties
Computed structural properties
- Topological polar surface area
- 49.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 307
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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