4-(4-propan-2-ylpiperazin-1-yl)pyridine-2-carbonitrile

C13H18N4 — CID 62924964

IUPAC4-(4-propan-2-ylpiperazin-1-yl)pyridine-2-carbonitrile
SMILESCC(C)N1CCN(c2ccnc(C#N)c2)CC1
InChIInChI=1S/C13H18N4/c1-11(2)16-5-7-17(8-6-16)13-3-4-15-12(9-13)10-14/h3-4,9,11H,5-8H2,1-2H3
InChIKeyBQSQVWSLLZQFDD-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.48
Rot. Bonds2

About 4-(4-propan-2-ylpiperazin-1-yl)pyridine-2-carbonitrile

4-(4-propan-2-ylpiperazin-1-yl)pyridine-2-carbonitrile (PubChem CID 62924964) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-(4-propan-2-ylpiperazin-1-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(4-propan-2-ylpiperazin-1-yl)pyridine-2-carbonitrile
PubChem CID62924964
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name4-(4-propan-2-ylpiperazin-1-yl)pyridine-2-carbonitrile
SMILESCC(C)N1CCN(c2ccnc(C#N)c2)CC1
InChIInChI=1S/C13H18N4/c1-11(2)16-5-7-17(8-6-16)13-3-4-15-12(9-13)10-14/h3-4,9,11H,5-8H2,1-2H3
InChIKeyBQSQVWSLLZQFDD-UHFFFAOYSA-N
XLogP1.48
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carbonitrile
CID 47092348
4-[4-(1-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 63594687
5-(4-propan-2-ylpiperazin-1-yl)pyridine-2-carbonitrile
CID 79839573
4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 163345546
4-piperazin-1-ylpyridine-2-carbonitrile;dihydrochloride
CID 154825612
4-(4-hydroxypiperidin-1-yl)pyridine-2-carbonitrile
CID 62492159
4-(1-oxo-1,4-thiazinan-4-yl)pyridine-2-carbonitrile
CID 55211755
4-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 62491107
4-(4-methylsulfanylazepan-1-yl)pyridine-2-carbonitrile
CID 114237214
4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 163345651
4-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 163345910
4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carbonitrile
CID 62491625

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylpiperazin-1-yl)pyridine-2-carbonitrile?
The IUPAC name of 4-(4-propan-2-ylpiperazin-1-yl)pyridine-2-carbonitrile (CID 62924964) is 4-(4-propan-2-ylpiperazin-1-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(4-propan-2-ylpiperazin-1-yl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(4-propan-2-ylpiperazin-1-yl)pyridine-2-carbonitrile is CC(C)N1CCN(c2ccnc(C#N)c2)CC1.
What is the InChIKey of 4-(4-propan-2-ylpiperazin-1-yl)pyridine-2-carbonitrile?
The InChIKey is BQSQVWSLLZQFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-11(2)16-5-7-17(8-6-16)13-3-4-15-12(9-13)10-14/h3-4,9,11H,5-8H2,1-2H3.
What are the key properties of 4-(4-propan-2-ylpiperazin-1-yl)pyridine-2-carbonitrile?
4-(4-propan-2-ylpiperazin-1-yl)pyridine-2-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylpiperazin-1-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 62924964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).