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

C12H17ClN4 — CID 67324559

IUPAC6-(2,2-dimethylpiperazin-1-yl)pyridine-3-carbonitrile;hydrochloride
SMILESCC1(C)CNCCN1c1ccc(C#N)cn1.Cl
InChIInChI=1S/C12H16N4.ClH/c1-12(2)9-14-5-6-16(12)11-4-3-10(7-13)8-15-11;/h3-4,8,14H,5-6,9H2,1-2H3;1H
InChIKeyVDRWKKNUDSWDGJ-UHFFFAOYSA-N
MW252.75 g/mol
LogP1.56
Rot. Bonds1

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

6-(2,2-dimethylpiperazin-1-yl)pyridine-3-carbonitrile;hydrochloride (PubChem CID 67324559) has the molecular formula C12H17ClN4 and a molecular weight of 252.75 g/mol. Its IUPAC name is 6-(2,2-dimethylpiperazin-1-yl)pyridine-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name6-(2,2-dimethylpiperazin-1-yl)pyridine-3-carbonitrile;hydrochloride
PubChem CID67324559
Molecular FormulaC12H17ClN4
Molecular Weight252.75 g/mol
Exact Mass252.11
IUPAC Name6-(2,2-dimethylpiperazin-1-yl)pyridine-3-carbonitrile;hydrochloride
SMILESCC1(C)CNCCN1c1ccc(C#N)cn1.Cl
InChIInChI=1S/C12H16N4.ClH/c1-12(2)9-14-5-6-16(12)11-4-3-10(7-13)8-15-11;/h3-4,8,14H,5-6,9H2,1-2H3;1H
InChIKeyVDRWKKNUDSWDGJ-UHFFFAOYSA-N
XLogP1.56
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-cyano-2-pyridinyl)-3,3-dimethylpiperazine-1-carboxylic acid
CID 67325965
2,2-dimethyl-1-pyridin-2-ylpiperazine
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3-(2,2-dimethylpiperazin-1-yl)-6-propan-2-ylpyridazine
CID 116972708
6-[4-(2-methylmorpholine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 171493313
4-(2,2-dimethylpiperazin-1-yl)quinazoline
CID 63595602
6-(2,5-dioxopyrrolidin-1-yl)pyridine-3-carbonitrile
CID 71813200
2-bromo-4-(2,2-dimethylpiperazin-1-yl)benzonitrile
CID 107280761
6-(4-piperidin-4-yloxypiperidin-1-yl)pyridine-3-carbonitrile
CID 69354590
2-(2,2-dimethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 65463221
4-(2,2-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136978401
4-(2,2-dimethylpiperazin-1-yl)cinnoline-3-carbonitrile
CID 65461607
2-(2,2-dimethylpiperazin-1-yl)-5-(1H-pyrrol-2-yl)pyrimidine
CID 116976465

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylpiperazin-1-yl)pyridine-3-carbonitrile;hydrochloride?
The IUPAC name of 6-(2,2-dimethylpiperazin-1-yl)pyridine-3-carbonitrile;hydrochloride (CID 67324559) is 6-(2,2-dimethylpiperazin-1-yl)pyridine-3-carbonitrile;hydrochloride.
What is the SMILES notation for 6-(2,2-dimethylpiperazin-1-yl)pyridine-3-carbonitrile;hydrochloride?
The canonical SMILES for 6-(2,2-dimethylpiperazin-1-yl)pyridine-3-carbonitrile;hydrochloride is CC1(C)CNCCN1c1ccc(C#N)cn1.Cl.
What is the InChIKey of 6-(2,2-dimethylpiperazin-1-yl)pyridine-3-carbonitrile;hydrochloride?
The InChIKey is VDRWKKNUDSWDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4.ClH/c1-12(2)9-14-5-6-16(12)11-4-3-10(7-13)8-15-11;/h3-4,8,14H,5-6,9H2,1-2H3;1H.
What are the key properties of 6-(2,2-dimethylpiperazin-1-yl)pyridine-3-carbonitrile;hydrochloride?
6-(2,2-dimethylpiperazin-1-yl)pyridine-3-carbonitrile;hydrochloride has a molecular weight of 252.75 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylpiperazin-1-yl)pyridine-3-carbonitrile;hydrochloride is sourced from PubChem (CID 67324559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).