Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(c2ccc(Br)cc2)C(O)C1- InChIKey
ZARPYLRJFXAKRQ-UHFFFAOYSA-N- Molecular formula
- C16H22BrNO3
- Average molar mass
- 356.25 g/mol
Names & identifiers
- Preferred name
- tert-butyl (3RS,4RS)-4-(4-bromophenyl)-3-hydroxy-piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-(4-bromophenyl)-3-hydroxypiperidine-1-carboxylate
Names & synonyms
SCHEMBL24495119ZARPYLRJFXAKRQ-UHFFFAOYSA-Ntert-butyl (3RS,4RS)-4-(4-bromophenyl)-3-hydroxy-piperidine-1-carboxylatetert-butyl (3RS,4RS)-4-(4-bromo-phenyl)-3-hydroxy-piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 54537313
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 361
Related reactions
10 records
Compound notes
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