5-methyl-2-(2-piperazin-1-ylethylamino)benzonitrile

C14H20N4 — CID 114017441

IUPAC5-methyl-2-(2-piperazin-1-ylethylamino)benzonitrile
SMILESCc1ccc(NCCN2CCNCC2)c(C#N)c1
InChIInChI=1S/C14H20N4/c1-12-2-3-14(13(10-12)11-15)17-6-9-18-7-4-16-5-8-18/h2-3,10,16-17H,4-9H2,1H3
InChIKeySFUBAFLIVMGZPT-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.18
Rot. Bonds4

About 5-methyl-2-(2-piperazin-1-ylethylamino)benzonitrile

5-methyl-2-(2-piperazin-1-ylethylamino)benzonitrile (PubChem CID 114017441) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-methyl-2-(2-piperazin-1-ylethylamino)benzonitrile.

Molecular Properties

Compound Name5-methyl-2-(2-piperazin-1-ylethylamino)benzonitrile
PubChem CID114017441
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name5-methyl-2-(2-piperazin-1-ylethylamino)benzonitrile
SMILESCc1ccc(NCCN2CCNCC2)c(C#N)c1
InChIInChI=1S/C14H20N4/c1-12-2-3-14(13(10-12)11-15)17-6-9-18-7-4-16-5-8-18/h2-3,10,16-17H,4-9H2,1H3
InChIKeySFUBAFLIVMGZPT-UHFFFAOYSA-N
XLogP1.18
TPSA51.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-(3-morpholin-4-ylpropylamino)benzonitrile
CID 107927013
2-bromo-3-fluoro-4-(2-piperazin-1-ylethylamino)benzonitrile
CID 107537618
5-methyl-2-(piperidin-4-ylmethylamino)benzonitrile
CID 107931532
5-methyl-2-(2-pyrrolidin-3-ylethylamino)benzonitrile
CID 107931573
2-(3-hydroxypropylamino)-5-methylbenzonitrile
CID 107927398
5-methyl-2-(5-methylhexylamino)benzonitrile
CID 107927694
N-[2-(2-cyano-4-methylanilino)ethyl]methanesulfonamide
CID 107927060
5-formyl-2-(2-morpholin-4-ylethylamino)benzonitrile
CID 173164163
2-[[2-(dimethylamino)-2-methylpropyl]amino]-5-methylbenzonitrile
CID 107927307
5-methyl-2-[(4-methylpiperazin-1-yl)amino]benzonitrile
CID 107927739
2-[3-(diethylamino)propylamino]-5-methylbenzonitrile
CID 107926933
4-methyl-2-[(2-oxo-2-piperazin-1-ylethyl)amino]benzonitrile
CID 62309036

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-piperazin-1-ylethylamino)benzonitrile?
The IUPAC name of 5-methyl-2-(2-piperazin-1-ylethylamino)benzonitrile (CID 114017441) is 5-methyl-2-(2-piperazin-1-ylethylamino)benzonitrile.
What is the SMILES notation for 5-methyl-2-(2-piperazin-1-ylethylamino)benzonitrile?
The canonical SMILES for 5-methyl-2-(2-piperazin-1-ylethylamino)benzonitrile is Cc1ccc(NCCN2CCNCC2)c(C#N)c1.
What is the InChIKey of 5-methyl-2-(2-piperazin-1-ylethylamino)benzonitrile?
The InChIKey is SFUBAFLIVMGZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-12-2-3-14(13(10-12)11-15)17-6-9-18-7-4-16-5-8-18/h2-3,10,16-17H,4-9H2,1H3.
What are the key properties of 5-methyl-2-(2-piperazin-1-ylethylamino)benzonitrile?
5-methyl-2-(2-piperazin-1-ylethylamino)benzonitrile has a molecular weight of 244.34 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-piperazin-1-ylethylamino)benzonitrile is sourced from PubChem (CID 114017441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).