Basic information
- Standard SMILES
C[C@H]1CN(Cc2ccc(Br)s2)CCN1C(=O)OC(C)(C)C- InChIKey
HYCYHWRALYSTSU-NSHDSACASA-N- Molecular formula
- C15H23BrN2O2S
- Average molar mass
- 375.3 g/mol
Names & identifiers
- Preferred name
- 1,1-dimethylethyl (2S)-4-[(5-bromo-2-thienyl)methyl]-2-methyl-1-piperazinecarboxylate
- IUPAC
- tert-butyl (2S)-4-[(5-bromothiophen-2-yl)methyl]-2-methylpiperazine-1-carboxylate
Names & synonyms
SCHEMBL1631057HYCYHWRALYSTSU-NSHDSACASA-NA1-136645(R)-tert-Butyl 4-((5-bromothiophen-2-yl)methyl)-2-methylpiperazine-1-carboxylate1,1-dimethylethyl (2S)-4-[(5-bromo-2-thienyl)methyl]-2-methyl-1-piperazinecarboxylate
Database identifiers
- PubChem CID
- 57736711
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 375
Related reactions
1 records
Compound notes
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