6-(3,4-dimethylpiperazin-1-yl)pyridine-2-carbonitrile

C12H16N4 — CID 64595716

IUPAC6-(3,4-dimethylpiperazin-1-yl)pyridine-2-carbonitrile
SMILESCC1CN(c2cccc(C#N)n2)CCN1C
InChIInChI=1S/C12H16N4/c1-10-9-16(7-6-15(10)2)12-5-3-4-11(8-13)14-12/h3-5,10H,6-7,9H2,1-2H3
InChIKeyKQFBRDBFEXCYCD-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.09
Rot. Bonds1

About 6-(3,4-dimethylpiperazin-1-yl)pyridine-2-carbonitrile

6-(3,4-dimethylpiperazin-1-yl)pyridine-2-carbonitrile (PubChem CID 64595716) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 6-(3,4-dimethylpiperazin-1-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(3,4-dimethylpiperazin-1-yl)pyridine-2-carbonitrile
PubChem CID64595716
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name6-(3,4-dimethylpiperazin-1-yl)pyridine-2-carbonitrile
SMILESCC1CN(c2cccc(C#N)n2)CCN1C
InChIInChI=1S/C12H16N4/c1-10-9-16(7-6-15(10)2)12-5-3-4-11(8-13)14-12/h3-5,10H,6-7,9H2,1-2H3
InChIKeyKQFBRDBFEXCYCD-UHFFFAOYSA-N
XLogP1.09
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylpiperazin-1-yl)pyridine-2-carbonitrile?
The IUPAC name of 6-(3,4-dimethylpiperazin-1-yl)pyridine-2-carbonitrile (CID 64595716) is 6-(3,4-dimethylpiperazin-1-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(3,4-dimethylpiperazin-1-yl)pyridine-2-carbonitrile?
The canonical SMILES for 6-(3,4-dimethylpiperazin-1-yl)pyridine-2-carbonitrile is CC1CN(c2cccc(C#N)n2)CCN1C.
What is the InChIKey of 6-(3,4-dimethylpiperazin-1-yl)pyridine-2-carbonitrile?
The InChIKey is KQFBRDBFEXCYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-10-9-16(7-6-15(10)2)12-5-3-4-11(8-13)14-12/h3-5,10H,6-7,9H2,1-2H3.
What are the key properties of 6-(3,4-dimethylpiperazin-1-yl)pyridine-2-carbonitrile?
6-(3,4-dimethylpiperazin-1-yl)pyridine-2-carbonitrile has a molecular weight of 216.29 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylpiperazin-1-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 64595716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).