Basic information
- CAS
71266-46-1- Standard SMILES
COc1ccc(C(=O)OC2(C(=O)c3ccccc3)CCN(C)CC2)cc1- InChIKey
QOOIJUNFTXNIRW-UHFFFAOYSA-N- Molecular formula
- C21H23NO4
- Average molar mass
- 353.4 g/mol
- Monoisotopic mass
- 353.16270821
Names & identifiers
- Preferred name
- Benzoic acid, 4-methoxy-, 4-benzoyl-1-methyl-4-piperidinyl ester, conjugate monoacid
- IUPAC
- (4-benzoyl-1-methylpiperidin-4-yl) 4-methoxybenzoate
Names & synonyms
Benzoic acid, 4-methoxy-, 4-benzoyl-1-methyl-4-piperidinyl ester, conjugate monoacid71266-46-1DTXSID802214384-Methoxybenzoic acid 4-benzoyl-1-methyl-4-piperidinyl ester conjugate monoacidRefChem:327611DTXCID801439294-Benzoyl-1-methylpiperidin-4-yl 4-methoxybenzoate
Database identifiers
- CAS
71266-46-1- PubChem CID
- 51289
- DTXSID
DTXSID80221438
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 484
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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