Basic information
- CAS
71266-44-9- Standard SMILES
CC1CC(OC(=O)c2ccccc2Br)(C(=O)c2ccccc2)CCN1- InChIKey
MFDWVMPDLWOZFC-UHFFFAOYSA-N- Molecular formula
- C20H20BrNO3
- Average molar mass
- 402.3 g/mol
- Monoisotopic mass
- 401.06266
Names & identifiers
- Preferred name
- 4-Benzoyl-2-methylpiperidin-4-yl 2-bromobenzoate
- IUPAC
- (4-benzoyl-2-methylpiperidin-4-yl) 2-bromobenzoate
Names & synonyms
71266-44-9DTXSID109915764-benzoyl-2-methylpiperidin-4-yl 2-bromobenzoateRefChem:1070356DTXCID001418658Benzoic acid, 2-bromo-, 4-benzoyl-1-methyl-4-piperidinyl ester, conjugate monoacid2-Bromobenzoic acid 4-benzoyl-1-methyl-4-piperidinyl ester conjugate monoacid
Database identifiers
- CAS
71266-44-9- PubChem CID
- 51287
- DTXSID
DTXSID10991576
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 491
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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