Basic information
- CAS
33422-54-7- Standard SMILES
COc1ccc(C(=O)OC2(C(=O)c3ccccc3)CCCN(C)C2)cc1.Cl- InChIKey
KXCUVPCCUJWKHB-UHFFFAOYSA-N- Molecular formula
- C21H24ClNO4
- Average molar mass
- 389.9 g/mol
- Monoisotopic mass
- 389.1393859
Names & identifiers
- Preferred name
- 3-Benzoyl-1-methylpiperidin-3-yl 4-methoxybenzoate--hydrogen chloride (1/1)
- IUPAC
- (3-benzoyl-1-methylpiperidin-3-yl) 4-methoxybenzoate;hydrochloride
Names & synonyms
33422-54-7DTXSID809550443-Benzoyl-1-methylpiperidin-3-yl 4-methoxybenzoate--hydrogen chloride (1/1)RefChem:1067363DTXCID301383048(+-)-1-Methyl-3-benzoyl-3-(p-methoxybenzoyloxy)piperidine hydrochloride hydratep-Anisic acid, ester with 3-hydroxy-1-methyl-3-piperidyl phenyl ketone, monohydrochloride, (+-)-, hydrate
Database identifiers
- CAS
33422-54-7- PubChem CID
- 214546
- DTXSID
DTXSID80955044
Properties
Computed structural properties
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 494
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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