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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Related Compounds

6-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]pyridine-2-carbonitrile
CID 86814552
6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-2-carbonitrile
CID 81198880
1-[6-(3,4-dimethylpiperazin-1-yl)-2-pyridinyl]-N-methylmethanamine
CID 63621802
6-[(2S)-2,4-dimethylpiperazin-1-yl]pyridine-2-carbonitrile
CID 150768660
6-[(2S)-2,4-dimethylpiperazin-1-yl]pyridine-2-carbonitrile;ethane
CID 168909423
6-[3-(dimethylamino)azetidin-1-yl]pyridine-2-carbonitrile
CID 146386502
6-(4-methyl-3-oxopiperazin-1-yl)pyridine-2-carbonitrile
CID 64681399
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carbonitrile
CID 78995478
6-[2-(1-aminoethyl)morpholin-4-yl]pyridine-2-carbonitrile
CID 115315735
6-(2-methylpiperidin-1-yl)pyridine-2-carbonitrile
CID 64589835
6-(4-aminopiperidin-1-yl)pyridine-2-carbonitrile
CID 64587586
methyl (3S,4R)-1-(6-cyano-2-pyridinyl)-3-methylpiperidine-4-carboxylate
CID 125138637

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).