Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(Cc2cccc(C(=O)NCc3ccc(F)c(Br)c3)c2)CC1- InChIKey
JLRLBWBQBHJZMP-UHFFFAOYSA-N- Molecular formula
- C25H30BrFN2O3
- Average molar mass
- 505.4 g/mol
Names & identifiers
- Preferred name
- 1,1-Dimethylethyl 4-{[3-({[(3-bromo-4-fluorophenyl)methyl]amino}carbonyl)phenyl]methyl)-1-piperidinecarboxylate
- IUPAC
- tert-butyl 4-[[3-[(3-bromo-4-fluorophenyl)methylcarbamoyl]phenyl]methyl]piperidine-1-carboxylate
Names & synonyms
1,1-dimethylethyl 4-{[3-({[(3-bromo-4-fluorophenyl)methyl]amino}carbonyl)phenyl]methyl)-1-piperidinecarboxylate1,1-Dimethylethyl 4-{[3-({[(3-bromo-4-fluorophenyl)methyl]amino}carbonyl)phenyl]methyl}-1-piperidinecarboxylateSCHEMBL1632877JLRLBWBQBHJZMP-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 57736709
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 633
Related reactions
5 records
Compound notes
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