Basic information
- Standard SMILES
C[C@H]1CN(Cc2cccc(Br)c2)CCN1C(=O)OC(C)(C)C- InChIKey
WANXVZZLHADPBD-ZDUSSCGKSA-N- Molecular formula
- C17H25BrN2O2
- Average molar mass
- 369.3 g/mol
Names & identifiers
- Preferred name
- 1,1-dimethylethyl (2S)-4-[(3-bromophenyl)methyl]-2-methyl-1-piperazinecarboxylate
- IUPAC
- tert-butyl (2S)-4-[(3-bromophenyl)methyl]-2-methylpiperazine-1-carboxylate
Names & synonyms
SCHEMBL1632681WANXVZZLHADPBD-ZDUSSCGKSA-N1,1-dimethylethyl (2S)-4-[(3-bromophenyl)methyl]-2-methyl-1-piperazine carboxylate1,1-dimethylethyl (2S)-4-[(3-bromophenyl)methyl]-2-methyl-1-piperazinecarboxylate
Database identifiers
- PubChem CID
- 57736712
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 383
Related reactions
3 records
Compound notes
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