5-chloro-4-piperazin-1-ylpyridine-3-carboxylic acid;piperazine

C14H22ClN5O2 — CID 173176420

IUPAC5-chloro-4-piperazin-1-ylpyridine-3-carboxylic acid;piperazine
SMILESC1CNCCN1.O=C(O)c1cncc(Cl)c1N1CCNCC1
InChIInChI=1S/C10H12ClN3O2.C4H10N2/c11-8-6-13-5-7(10(15)16)9(8)14-3-1-12-2-4-14;1-2-6-4-3-5-1/h5-6,12H,1-4H2,(H,15,16);5-6H,1-4H2
InChIKeyIUGNGOIPROPYTI-UHFFFAOYSA-N
MW327.82 g/mol
LogP0.02
Rot. Bonds2

About 5-chloro-4-piperazin-1-ylpyridine-3-carboxylic acid;piperazine

5-chloro-4-piperazin-1-ylpyridine-3-carboxylic acid;piperazine (PubChem CID 173176420) has the molecular formula C14H22ClN5O2 and a molecular weight of 327.82 g/mol. Its IUPAC name is 5-chloro-4-piperazin-1-ylpyridine-3-carboxylic acid;piperazine.

Molecular Properties

Compound Name5-chloro-4-piperazin-1-ylpyridine-3-carboxylic acid;piperazine
PubChem CID173176420
Molecular FormulaC14H22ClN5O2
Molecular Weight327.82 g/mol
Exact Mass327.15
IUPAC Name5-chloro-4-piperazin-1-ylpyridine-3-carboxylic acid;piperazine
SMILESC1CNCCN1.O=C(O)c1cncc(Cl)c1N1CCNCC1
InChIInChI=1S/C10H12ClN3O2.C4H10N2/c11-8-6-13-5-7(10(15)16)9(8)14-3-1-12-2-4-14;1-2-6-4-3-5-1/h5-6,12H,1-4H2,(H,15,16);5-6H,1-4H2
InChIKeyIUGNGOIPROPYTI-UHFFFAOYSA-N
XLogP0.02
TPSA89.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 50.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-piperazin-1-ylpyridine-3-carboxylic acid;piperazine?
The IUPAC name of 5-chloro-4-piperazin-1-ylpyridine-3-carboxylic acid;piperazine (CID 173176420) is 5-chloro-4-piperazin-1-ylpyridine-3-carboxylic acid;piperazine.
What is the SMILES notation for 5-chloro-4-piperazin-1-ylpyridine-3-carboxylic acid;piperazine?
The canonical SMILES for 5-chloro-4-piperazin-1-ylpyridine-3-carboxylic acid;piperazine is C1CNCCN1.O=C(O)c1cncc(Cl)c1N1CCNCC1.
What is the InChIKey of 5-chloro-4-piperazin-1-ylpyridine-3-carboxylic acid;piperazine?
The InChIKey is IUGNGOIPROPYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2.C4H10N2/c11-8-6-13-5-7(10(15)16)9(8)14-3-1-12-2-4-14;1-2-6-4-3-5-1/h5-6,12H,1-4H2,(H,15,16);5-6H,1-4H2.
What are the key properties of 5-chloro-4-piperazin-1-ylpyridine-3-carboxylic acid;piperazine?
5-chloro-4-piperazin-1-ylpyridine-3-carboxylic acid;piperazine has a molecular weight of 327.82 g/mol, XLogP of 0.02, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-piperazin-1-ylpyridine-3-carboxylic acid;piperazine is sourced from PubChem (CID 173176420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).