Basic information
- CAS
1313365-71-7- Standard SMILES
CC(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1- InChIKey
GYTLJJOCZDCNTO-NSHDSACASA-N- Molecular formula
- C14H19BrN2O
- Average molar mass
- 311.22 g/mol
- Monoisotopic mass
- 310.06808
Names & identifiers
- Preferred name
- 1-[4-[(1S)-1-(4-Bromophenyl)ethyl]-1-piperazinyl]ethanone
- IUPAC
- 1-[4-[(1S)-1-(4-bromophenyl)ethyl]piperazin-1-yl]ethanone
Names & synonyms
1313365-71-7SCHEMBL23921121-[4-[(1S)-1-(4-Bromophenyl)ethyl]-1-piperazinyl]ethanoneDTXSID1011966011-{4-[(1S)-1-(4-Bromophenyl)ethyl]piperazin-1-yl}ethan-1-one
Database identifiers
- CAS
1313365-71-7- PubChem CID
- 58438005
- DTXSID
DTXSID101196601
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 282
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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