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Basic information
- CAS
111855-44-8- Standard SMILES
O=C(O)c1cccnc1N1CCN(CC(O)CO)CC1- InChIKey
QJKLWOJYVXEBBA-UHFFFAOYSA-N- Molecular formula
- C13H19N3O4
- Average molar mass
- 281.31 g/mol
- Monoisotopic mass
- 281.1375561
Names & identifiers
- Preferred name
- 2-[4-(2,3-Dihydroxypropyl)piperazin-1-yl]pyridine-3-carboxylic acid
- IUPAC
- 2-[4-(2,3-dihydroxypropyl)piperazin-1-yl]pyridine-3-carboxylic acid
Names & synonyms
111855-44-82-[4-(2,3-Dihydroxypropyl)piperazin-1-yl]pyridine-3-carboxylic acidSCHEMBL9494008DTXSID60601830QJKLWOJYVXEBBA-UHFFFAOYSA-N2-[4-(2,3-dihydroxypropyl)piperazin-1-yl]nicotinic acid
Database identifiers
- CAS
111855-44-8- PubChem CID
- 20032010
- DTXSID
DTXSID60601830
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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