Basic information
- Standard SMILES
Cc1ccc(CCC(=O)N2C[C@H](C)N(Cc3ccc(F)cc3)C[C@H]2C)c(O)c1- InChIKey
PUZYFOCSHHCCFN-ZWKOTPCHSA-N- Molecular formula
- C23H29FN2O2
- Average molar mass
- 384.5 g/mol
- Monoisotopic mass
- 384.22130633
Names & identifiers
- Preferred name
- 1-[4-(4-Fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-3-(2-hydroxy-4-methyl-phenyl)-propan-1-one
- IUPAC
- 1-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-3-(2-hydroxy-4-methylphenyl)propan-1-one
Names & synonyms
SCHEMBL6076069PUZYFOCSHHCCFN-ZWKOTPCHSA-N1-[4-(4-Fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-3-(2-hydroxy-4-methyl-phenyl)-propan-1-one1-[4-(4-Fluoro-Benzyl)-(2R,5S)-2.5-Dimethyl-Piperazin-1-Yl]-3-(2-Hydroxy-4-Methyl-Phenyl)-Propan-1-One
Database identifiers
- PubChem CID
- 69655326
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 509
Related reactions
2 records
Compound notes
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