Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(c2ccc(C#Cc3ccccn3)cn2)CC1- InChIKey
PYEBKMNERSDLPQ-UHFFFAOYSA-N- Molecular formula
- C21H24N4O2
- Average molar mass
- 364.4 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 4-[5-(pyridin-2-ylethynyl)pyridin-2-yl)piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-[5-(2-pyridin-2-ylethynyl)-2-pyridinyl]piperazine-1-carboxylate
Names & synonyms
tert-butyl 4-[5-(pyridin-2-ylethynyl)pyridin-2-yl)piperazine-1-carboxylatetert-butyl 4-[5-(pyridin-2-ylethynyl)pyridin-2-yl]piperazine-1-carboxylateSCHEMBL5916500PYEBKMNERSDLPQ-UHFFFAOYSA-Ntert-butyl 4-[5-(pyridin-2-ylethynyl)pyridin-2-yl]piperazine-1carboxylate
Database identifiers
- PubChem CID
- 69606771
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 566
Related reactions
4 records
Compound notes
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