Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(Cc2cc(C#N)cc(N)c2Cl)CC1- InChIKey
YUSSRDUPBZKPLD-UHFFFAOYSA-N- Molecular formula
- C17H23ClN4O2
- Average molar mass
- 350.8 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 4-(3-amino-2-chloro-5-cyanobenzyl)piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-[(3-amino-2-chloro-5-cyanophenyl)methyl]piperazine-1-carboxylate
Names & synonyms
SCHEMBL15407477YUSSRDUPBZKPLD-UHFFFAOYSA-Ntert-butyl 4-(3-amino-2-chloro-5-cyanobenzyl)piperazine-1-carboxylate
Database identifiers
- PubChem CID
- 86708653
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 82.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 491
Related reactions
2 records
Compound notes
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