Basic information
- Standard SMILES
CC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1- InChIKey
DQMKFVKNNDMGTA-UHFFFAOYSA-N- Molecular formula
- C23H25ClFNO3
- Average molar mass
- 417.9 g/mol
Names & identifiers
- Preferred name
- 4-(4-Acetoxy-4-(4-chlorophenyl)-1-piperidinyl)-1-(4-fluorophenyl)-1-butanone
- IUPAC
- [4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] acetate
Names & synonyms
CHEMBL3318845SCHEMBL8986083DQMKFVKNNDMGTA-UHFFFAOYSA-NBDBM500533904-(4-Acetoxy-4-(4-chlorophenyl)-1-piperidinyl)-1-(4-fluorophenyl)-1-butanone
Database identifiers
- PubChem CID
- 23364995
- ChEMBL
CHEMBL3318845
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 548
Related reactions
2 records
Compound notes
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