Ketone, 3-hydroxy-1-isopropyl-3-piperidyl phenyl, benzoate (ester), hydrochloride, (+-)-
Basic information
- CAS
33422-64-9- Standard SMILES
CC(C)[NH+]1CCCC(OC(=O)c2ccccc2)(C(=O)c2ccccc2)C1.[Cl-]- InChIKey
HTCNYINKTNPFBW-UHFFFAOYSA-N- Molecular formula
- C22H26ClNO3
- Average molar mass
- 387.9 g/mol
- Monoisotopic mass
- 387.1601214
Names & identifiers
- Preferred name
- Ketone, 3-hydroxy-1-isopropyl-3-piperidyl phenyl, benzoate (ester), hydrochloride, (+-)-
- IUPAC
- (3-benzoyl-1-propan-2-ylpiperidin-1-ium-3-yl) benzoate chloride
Names & synonyms
33422-64-9Ketone, 3-hydroxy-1-isopropyl-3-piperidyl phenyl, benzoate (ester), hydrochloride, (+-)-RefChem:1088001(+-)-1-Isopropyl-3-benzoyl-3-benzoyloxypiperidine hydrochloride(+-)-3-Hydroxy-1-isopropyl-3-piperidyl phenyl ketone benzoate (ester) hydrochloride
Database identifiers
- CAS
33422-64-9- PubChem CID
- 36472
Properties
Computed structural properties
- Topological polar surface area
- 47.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 492
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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