1-Methylethyl 4-{[(5-bromo-2-pyrazinyl)oxy]methyl}-1-piperidinecarboxylate
Basic information
- Standard SMILES
CC(C)OC(=O)N1CCC(COc2cnc(Br)cn2)CC1- InChIKey
KTHCBPWSTCEICD-UHFFFAOYSA-N- Molecular formula
- C14H20BrN3O3
- Average molar mass
- 358.23 g/mol
- Monoisotopic mass
- 357.0688
Names & identifiers
- Preferred name
- 1-Methylethyl 4-{[(5-bromo-2-pyrazinyl)oxy]methyl}-1-piperidinecarboxylate
- IUPAC
- propan-2-yl 4-[(5-bromopyrazin-2-yl)oxymethyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL386753KTHCBPWSTCEICD-UHFFFAOYSA-N1-methylethyl 4-{[(5-bromo-2-pyrazinyl)oxy]methyl}-1-piperidinecarboxylate
Database identifiers
- PubChem CID
- 57930233
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 335
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Related reactions
4 records
Compound notes
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