Basic information
- Standard SMILES
CC(C)COC(=O)N1CCN(c2ccnc(Cl)c2)CC1- InChIKey
LWYYSIIKUBAIBR-UHFFFAOYSA-N- Molecular formula
- C14H20ClN3O2
- Average molar mass
- 297.78 g/mol
- Monoisotopic mass
- 297.1244046
Names & identifiers
- Preferred name
- Isobutyl 4-(2-chloropyridin-4-yl)piperazine-1-carboxylate
- IUPAC
- 2-methylpropyl 4-(2-chloro-4-pyridinyl)piperazine-1-carboxylate
Names & synonyms
Isobutyl 4-(2-chloropyridin-4-yl)piperazine-1-carboxylate914107-72-5SCHEMBL3558471LWYYSIIKUBAIBR-UHFFFAOYSA-NDB-308130
Database identifiers
- PubChem CID
- 58853192
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 45.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 320
Related reactions
4 records
Compound notes
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