Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(CC(=O)c2ccc(F)cc2OCc2ccccc2)CC1- InChIKey
AEEYIMJCIHZVED-UHFFFAOYSA-N- Molecular formula
- C24H29FN2O4
- Average molar mass
- 428.5 g/mol
Names & identifiers
- Preferred name
- 2'-(Benzyloxy)-2-[4-(tert-butoxycarbonyl)piperazin-1-yl]-4'-fluoroacetophenone
- IUPAC
- tert-butyl 4-[2-(4-fluoro-2-phenylmethoxyphenyl)-2-oxoethyl]piperazine-1-carboxylate
Names & synonyms
SCHEMBL4480359AEEYIMJCIHZVED-UHFFFAOYSA-N2'-(benzyloxy)-2-[4-(tert-butoxycarbonyl)piperazin-1-yl]-4'-fluoroacetophenone2'-(benzyloxy)-2-[4-(tert-butoxycarbonyl)piperazin-1-yl]4'-fluoroacetophenone2'-(benzyloxy)2-[4-(tert-butoxycarbonyl)piperazin-1-yl]4'-fluoroacetophenone
Database identifiers
- PubChem CID
- 69059335
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 595
Related reactions
3 records
Compound notes
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