Basic information
- Standard SMILES
COC(=O)C1CN(c2ccc(C#N)cn2)CCN1- InChIKey
QWZNUPLCFXURQU-UHFFFAOYSA-N- Molecular formula
- C12H14N4O2
- Average molar mass
- 246.27 g/mol
Names & identifiers
- Preferred name
- Methyl 4-(5-cyanopyridin-2-yl)piperazine-2-carboxylate
- IUPAC
- methyl 4-(5-cyano-2-pyridinyl)piperazine-2-carboxylate
Names & synonyms
SCHEMBL2224842QWZNUPLCFXURQU-UHFFFAOYSA-Nmethyl 4-(5-cyanopyridin-2-yl)piperazine-2-carboxylate
Database identifiers
- PubChem CID
- 67323895
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 78.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 351
Related reactions
2 records
Compound notes
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