4-piperazin-1-ylpyridine-2-carboxylic acid

C10H13N3O2 — CID 21283534

IUPAC4-piperazin-1-ylpyridine-2-carboxylic acid
SMILESO=C(O)c1cc(N2CCNCC2)ccn1
InChIInChI=1S/C10H13N3O2/c14-10(15)9-7-8(1-2-12-9)13-5-3-11-4-6-13/h1-2,7,11H,3-6H2,(H,14,15)
InChIKeyNFKULWJGPJMQJZ-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.19
Rot. Bonds2

About 4-piperazin-1-ylpyridine-2-carboxylic acid

4-piperazin-1-ylpyridine-2-carboxylic acid (PubChem CID 21283534) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-piperazin-1-ylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-piperazin-1-ylpyridine-2-carboxylic acid
PubChem CID21283534
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name4-piperazin-1-ylpyridine-2-carboxylic acid
SMILESO=C(O)c1cc(N2CCNCC2)ccn1
InChIInChI=1S/C10H13N3O2/c14-10(15)9-7-8(1-2-12-9)13-5-3-11-4-6-13/h1-2,7,11H,3-6H2,(H,14,15)
InChIKeyNFKULWJGPJMQJZ-UHFFFAOYSA-N
XLogP0.19
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-ylpyridine-2-carboxylic acid?
The IUPAC name of 4-piperazin-1-ylpyridine-2-carboxylic acid (CID 21283534) is 4-piperazin-1-ylpyridine-2-carboxylic acid.
What is the SMILES notation for 4-piperazin-1-ylpyridine-2-carboxylic acid?
The canonical SMILES for 4-piperazin-1-ylpyridine-2-carboxylic acid is O=C(O)c1cc(N2CCNCC2)ccn1.
What is the InChIKey of 4-piperazin-1-ylpyridine-2-carboxylic acid?
The InChIKey is NFKULWJGPJMQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c14-10(15)9-7-8(1-2-12-9)13-5-3-11-4-6-13/h1-2,7,11H,3-6H2,(H,14,15).
What are the key properties of 4-piperazin-1-ylpyridine-2-carboxylic acid?
4-piperazin-1-ylpyridine-2-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-ylpyridine-2-carboxylic acid is sourced from PubChem (CID 21283534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).