4-piperazin-1-ylpyridine-2-carbonitrile

C10H12N4 — CID 62925679

IUPAC4-piperazin-1-ylpyridine-2-carbonitrile
SMILESN#Cc1cc(N2CCNCC2)ccn1
InChIInChI=1S/C10H12N4/c11-8-9-7-10(1-2-13-9)14-5-3-12-4-6-14/h1-2,7,12H,3-6H2
InChIKeyVIWUDIPXIBTLLX-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.36
Rot. Bonds1

About 4-piperazin-1-ylpyridine-2-carbonitrile

4-piperazin-1-ylpyridine-2-carbonitrile (PubChem CID 62925679) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-piperazin-1-ylpyridine-2-carbonitrile.

Molecular Properties

Compound Name4-piperazin-1-ylpyridine-2-carbonitrile
PubChem CID62925679
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name4-piperazin-1-ylpyridine-2-carbonitrile
SMILESN#Cc1cc(N2CCNCC2)ccn1
InChIInChI=1S/C10H12N4/c11-8-9-7-10(1-2-13-9)14-5-3-12-4-6-14/h1-2,7,12H,3-6H2
InChIKeyVIWUDIPXIBTLLX-UHFFFAOYSA-N
XLogP0.36
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-ylpyridine-2-carbonitrile?
The IUPAC name of 4-piperazin-1-ylpyridine-2-carbonitrile (CID 62925679) is 4-piperazin-1-ylpyridine-2-carbonitrile.
What is the SMILES notation for 4-piperazin-1-ylpyridine-2-carbonitrile?
The canonical SMILES for 4-piperazin-1-ylpyridine-2-carbonitrile is N#Cc1cc(N2CCNCC2)ccn1.
What is the InChIKey of 4-piperazin-1-ylpyridine-2-carbonitrile?
The InChIKey is VIWUDIPXIBTLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c11-8-9-7-10(1-2-13-9)14-5-3-12-4-6-14/h1-2,7,12H,3-6H2.
What are the key properties of 4-piperazin-1-ylpyridine-2-carbonitrile?
4-piperazin-1-ylpyridine-2-carbonitrile has a molecular weight of 188.23 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-ylpyridine-2-carbonitrile is sourced from PubChem (CID 62925679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).