2-(4-butan-2-ylpiperazin-1-yl)-6-methylpyridine-4-carbonitrile

C15H22N4 — CID 114766208

IUPAC2-(4-butan-2-ylpiperazin-1-yl)-6-methylpyridine-4-carbonitrile
SMILESCCC(C)N1CCN(c2cc(C#N)cc(C)n2)CC1
InChIInChI=1S/C15H22N4/c1-4-13(3)18-5-7-19(8-6-18)15-10-14(11-16)9-12(2)17-15/h9-10,13H,4-8H2,1-3H3
InChIKeyWYLXINJUKZWDCG-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.18
Rot. Bonds3

About 2-(4-butan-2-ylpiperazin-1-yl)-6-methylpyridine-4-carbonitrile

2-(4-butan-2-ylpiperazin-1-yl)-6-methylpyridine-4-carbonitrile (PubChem CID 114766208) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-(4-butan-2-ylpiperazin-1-yl)-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(4-butan-2-ylpiperazin-1-yl)-6-methylpyridine-4-carbonitrile
PubChem CID114766208
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name2-(4-butan-2-ylpiperazin-1-yl)-6-methylpyridine-4-carbonitrile
SMILESCCC(C)N1CCN(c2cc(C#N)cc(C)n2)CC1
InChIInChI=1S/C15H22N4/c1-4-13(3)18-5-7-19(8-6-18)15-10-14(11-16)9-12(2)17-15/h9-10,13H,4-8H2,1-3H3
InChIKeyWYLXINJUKZWDCG-UHFFFAOYSA-N
XLogP2.18
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-butan-2-ylpiperazin-1-yl)-6-methylpyrimidin-2-amine
CID 80832150
ethyl 4-(4-cyano-6-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 107876946
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile
CID 114766561
2-(2-ethylthiomorpholin-4-yl)-6-methylpyridine-4-carbonitrile
CID 114766685
6-(4-butan-2-ylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 80824437
2-methyl-6-(3-methylpyrrolidin-1-yl)pyridine-4-carbonitrile
CID 114765932
4-amino-3-(4-butan-2-ylpiperazin-1-yl)benzonitrile
CID 104711887
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyridine-4-carbonitrile
CID 114768261
2-methyl-6-[4-(oxan-4-ylmethyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 154757689
2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile
CID 104969574
[2-(4-butan-2-ylpiperazin-1-yl)-4,6-dimethyl-3-pyridinyl]methanamine
CID 62773611
3-bromo-4-(4-butan-2-ylpiperazin-1-yl)benzonitrile
CID 82797085

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylpiperazin-1-yl)-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-(4-butan-2-ylpiperazin-1-yl)-6-methylpyridine-4-carbonitrile (CID 114766208) is 2-(4-butan-2-ylpiperazin-1-yl)-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-(4-butan-2-ylpiperazin-1-yl)-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-(4-butan-2-ylpiperazin-1-yl)-6-methylpyridine-4-carbonitrile is CCC(C)N1CCN(c2cc(C#N)cc(C)n2)CC1.
What is the InChIKey of 2-(4-butan-2-ylpiperazin-1-yl)-6-methylpyridine-4-carbonitrile?
The InChIKey is WYLXINJUKZWDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-4-13(3)18-5-7-19(8-6-18)15-10-14(11-16)9-12(2)17-15/h9-10,13H,4-8H2,1-3H3.
What are the key properties of 2-(4-butan-2-ylpiperazin-1-yl)-6-methylpyridine-4-carbonitrile?
2-(4-butan-2-ylpiperazin-1-yl)-6-methylpyridine-4-carbonitrile has a molecular weight of 258.37 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylpiperazin-1-yl)-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 114766208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).