Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(CNc2cc(N)ncc2Cl)CC1- InChIKey
FWYQKCUGDFXBQO-UHFFFAOYSA-N- Molecular formula
- C16H25ClN4O2
- Average molar mass
- 340.8 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 4-((2-amino-5-chloropyridin-4-ylamino)methyl)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[[(2-amino-5-chloro-4-pyridinyl)amino]methyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL618365FWYQKCUGDFXBQO-UHFFFAOYSA-Ntert-butyl 4-((2-amino-5-chloropyridin-4-ylamino)methyl)piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 59613409
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 80.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 394
Related reactions
3 records
Compound notes
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