6-piperazin-1-ylpyridine-3-carboxylic acid;dihydrochloride

C10H15Cl2N3O2 — CID 86667969

IUPAC6-piperazin-1-ylpyridine-3-carboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)c1ccc(N2CCNCC2)nc1
InChIInChI=1S/C10H13N3O2.2ClH/c14-10(15)8-1-2-9(12-7-8)13-5-3-11-4-6-13;;/h1-2,7,11H,3-6H2,(H,14,15);2*1H
InChIKeyYRQGGWVGZODMPF-UHFFFAOYSA-N
MW280.15 g/mol
LogP1.03
Rot. Bonds2

About 6-piperazin-1-ylpyridine-3-carboxylic acid;dihydrochloride

6-piperazin-1-ylpyridine-3-carboxylic acid;dihydrochloride (PubChem CID 86667969) has the molecular formula C10H15Cl2N3O2 and a molecular weight of 280.15 g/mol. Its IUPAC name is 6-piperazin-1-ylpyridine-3-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Name6-piperazin-1-ylpyridine-3-carboxylic acid;dihydrochloride
PubChem CID86667969
Molecular FormulaC10H15Cl2N3O2
Molecular Weight280.15 g/mol
Exact Mass279.05
IUPAC Name6-piperazin-1-ylpyridine-3-carboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)c1ccc(N2CCNCC2)nc1
InChIInChI=1S/C10H13N3O2.2ClH/c14-10(15)8-1-2-9(12-7-8)13-5-3-11-4-6-13;;/h1-2,7,11H,3-6H2,(H,14,15);2*1H
InChIKeyYRQGGWVGZODMPF-UHFFFAOYSA-N
XLogP1.03
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-piperazin-1-ylpyridine-3-carboxylic acid;dihydrochloride?
The IUPAC name of 6-piperazin-1-ylpyridine-3-carboxylic acid;dihydrochloride (CID 86667969) is 6-piperazin-1-ylpyridine-3-carboxylic acid;dihydrochloride.
What is the SMILES notation for 6-piperazin-1-ylpyridine-3-carboxylic acid;dihydrochloride?
The canonical SMILES for 6-piperazin-1-ylpyridine-3-carboxylic acid;dihydrochloride is Cl.Cl.O=C(O)c1ccc(N2CCNCC2)nc1.
What is the InChIKey of 6-piperazin-1-ylpyridine-3-carboxylic acid;dihydrochloride?
The InChIKey is YRQGGWVGZODMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2.2ClH/c14-10(15)8-1-2-9(12-7-8)13-5-3-11-4-6-13;;/h1-2,7,11H,3-6H2,(H,14,15);2*1H.
What are the key properties of 6-piperazin-1-ylpyridine-3-carboxylic acid;dihydrochloride?
6-piperazin-1-ylpyridine-3-carboxylic acid;dihydrochloride has a molecular weight of 280.15 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperazin-1-ylpyridine-3-carboxylic acid;dihydrochloride is sourced from PubChem (CID 86667969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).