Basic information
- CAS
71266-43-8- Standard SMILES
CC1CC(OC(=O)c2ccccc2Cl)(C(=O)c2ccccc2)CCN1- InChIKey
YJBXBEVYMYKIAP-UHFFFAOYSA-N- Molecular formula
- C20H20ClNO3
- Average molar mass
- 357.8 g/mol
- Monoisotopic mass
- 357.1131712
Names & identifiers
- Preferred name
- 4-Benzoyl-2-methylpiperidin-4-yl 2-chlorobenzoate
- IUPAC
- (4-benzoyl-2-methylpiperidin-4-yl) 2-chlorobenzoate
Names & synonyms
71266-43-8DTXSID509915754-benzoyl-2-methylpiperidin-4-yl 2-chlorobenzoateRefChem:1070357DTXCID3014186572-Chlorobenzoic acid 4-benzoyl-1-methyl-4-piperidinyl ester conjugate monoacidBenzoic acid, 2-chloro-, 4-benzoyl-1-methyl-4-piperidinyl ester, conjugate monoacide
Database identifiers
- CAS
71266-43-8- PubChem CID
- 51286
- DTXSID
DTXSID50991575
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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