Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(c2ccncc2Cl)CC1- InChIKey
FFCLVPSTIMQMOC-UHFFFAOYSA-N- Molecular formula
- C14H20ClN3O2
- Average molar mass
- 297.78 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 4-(3-chloropyridin-4-yl)piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-(3-chloro-4-pyridinyl)piperazine-1-carboxylate
Names & synonyms
Tert-butyl 4-(3-chloropyridin-4-yl)piperazine-1-carboxylate683240-48-4SCHEMBL1907903FFCLVPSTIMQMOC-UHFFFAOYSA-NDB-3093471-(3-Chloropyridin-4-yl)piperazine-4-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 11558451
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 45.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 338
Related reactions
3 records
Compound notes
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