Basic information
- Standard SMILES
COC(=O)c1cnc(CN2CCCCC2)cn1- InChIKey
FHFCFDHQPBTMKN-UHFFFAOYSA-N- Molecular formula
- C12H17N3O2
- Average molar mass
- 235.28 g/mol
- Monoisotopic mass
- 235.13207679
Names & identifiers
- Preferred name
- 5-Piperidin-1-ylmethyl-pyrazine-2-carboxylic acid methyl ester
- IUPAC
- methyl 5-(piperidin-1-ylmethyl)pyrazine-2-carboxylate
Names & synonyms
SCHEMBL1857907FHFCFDHQPBTMKN-UHFFFAOYSA-N5-Piperidin-1-ylmethyl-pyrazine-2-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 44515772
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 55.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 254
Related reactions
3 records
Compound notes
Loading…