Basic information
- Standard SMILES
CC1CC(O)(c2ccc(Br)cc2)CCN1C(=O)OC(C)(C)C- InChIKey
DWNVMOCZNPQPBR-UHFFFAOYSA-N- Molecular formula
- C17H24BrNO3
- Average molar mass
- 370.3 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 4-(4-bromophenyl)-4-hydroxy-2-methylpiperidine-1-carboxylate
- IUPAC
- tert-butyl 4-(4-bromophenyl)-4-hydroxy-2-methylpiperidine-1-carboxylate
Names & synonyms
SCHEMBL13455154DWNVMOCZNPQPBR-UHFFFAOYSA-Ntert-butyl 4-(4-bromophenyl)-4-hydroxy-2-methylpiperidine-1-carboxylate
Database identifiers
- PubChem CID
- 70907770
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 401
Related reactions
1 records
Compound notes
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