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Basic information
- Standard SMILES
O=C(O)c1ccc(N2CCN(CC(O)CO)CC2)nc1- InChIKey
RDAFBNWKCUBBHI-UHFFFAOYSA-N- Molecular formula
- C13H19N3O4
- Average molar mass
- 281.31 g/mol
- Monoisotopic mass
- 281.1375561
Names & identifiers
- Preferred name
- 6-[4-(2,3-Dihydroxypropyl)piperazin-1-yl]nicotinic acid
- IUPAC
- 6-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyridine-3-carboxylic acid
Names & synonyms
SCHEMBL9492557RDAFBNWKCUBBHI-UHFFFAOYSA-N6-[4-(2,3-dihydroxypropyl)piperazin-1-yl]nicotinic acid
Database identifiers
- PubChem CID
- 20032013
Properties
Computed structural propertiesFilling in
- XLogP
- -2.9
- Topological polar surface area
- 97.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 321
Related reactions
2 records
Compound notes
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