2-{4-[2-(2-Hydroxy ethoxy)ethyl]piperazin-1-yl}nicotinic acid
Basic information
- Standard SMILES
O=C(O)c1cccnc1N1CCN(CCOCCO)CC1- InChIKey
ZTZCUVDOZGCPIA-UHFFFAOYSA-N- Molecular formula
- C14H21N3O4
- Average molar mass
- 295.33 g/mol
Names & identifiers
- Preferred name
- 2-{4-[2-(2-Hydroxy ethoxy)ethyl]piperazin-1-yl}nicotinic acid
- IUPAC
- 2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]pyridine-3-carboxylic acid
Names & synonyms
SCHEMBL10547798ZTZCUVDOZGCPIA-UHFFFAOYSA-N2-{4-[2-(2-hydroxy ethoxy)ethyl]piperazin-1-yl}nicotinic acid
Database identifiers
- PubChem CID
- 20032014
Properties
Computed structural properties
- XLogP
- -2.5
- Topological polar surface area
- 86.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 321
Related reactions
1 records
Compound notes
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