tert-Butyl [4-(bromoacetyl)piperazin-1-yl]acetate
Basic information
- CAS
112257-13-3- Standard SMILES
CC(C)(C)OC(=O)CN1CCN(C(=O)CBr)CC1- InChIKey
KOHMPGYADUTBLK-UHFFFAOYSA-N- Molecular formula
- C12H21BrN2O3
- Average molar mass
- 321.21 g/mol
- Monoisotopic mass
- 320.07356
Names & identifiers
- Preferred name
- tert-Butyl [4-(bromoacetyl)piperazin-1-yl]acetate
- IUPAC
- tert-butyl 2-[4-(2-bromoacetyl)piperazin-1-yl]acetate
Names & synonyms
DTXSID401205283tert-Butyl [4-(bromoacetyl)piperazin-1-yl]acetate1,1-Dimethylethyl 4-(2-bromoacetyl)-1-piperazineacetate112257-13-3
Database identifiers
- CAS
112257-13-3- PubChem CID
- 85538747
- DTXSID
DTXSID401205283
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 307
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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