Basic information
- Standard SMILES
CC1CN(C(=O)COc2ccc(Cl)cc2CN)C(C)CN1Cc1ccc(F)cc1- InChIKey
PGBPKSSYIVMNRH-UHFFFAOYSA-N- Molecular formula
- C22H27ClFN3O2
- Average molar mass
- 419.9 g/mol
- Monoisotopic mass
- 419.177583
Names & identifiers
- Preferred name
- 2-[2-(Aminomethyl)-4-chlorophenoxy]-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone
- IUPAC
- 2-[2-(aminomethyl)-4-chlorophenoxy]-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone
Names & synonyms
SCHEMBL4588019
Database identifiers
- PubChem CID
- 21973409
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 58.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 532
Related reactions
3 records
Compound notes
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