4-[1-[(4-methylpiperazin-1-yl)amino]ethyl]benzonitrile

C14H20N4 — CID 83009779

IUPAC4-[1-[(4-methylpiperazin-1-yl)amino]ethyl]benzonitrile
SMILESCC(NN1CCN(C)CC1)c1ccc(C#N)cc1
InChIInChI=1S/C14H20N4/c1-12(14-5-3-13(11-15)4-6-14)16-18-9-7-17(2)8-10-18/h3-6,12,16H,7-10H2,1-2H3
InChIKeyGWHRFVNAOGBEFT-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.37
Rot. Bonds3

About 4-[1-[(4-methylpiperazin-1-yl)amino]ethyl]benzonitrile

4-[1-[(4-methylpiperazin-1-yl)amino]ethyl]benzonitrile (PubChem CID 83009779) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-[1-[(4-methylpiperazin-1-yl)amino]ethyl]benzonitrile.

Molecular Properties

Compound Name4-[1-[(4-methylpiperazin-1-yl)amino]ethyl]benzonitrile
PubChem CID83009779
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name4-[1-[(4-methylpiperazin-1-yl)amino]ethyl]benzonitrile
SMILESCC(NN1CCN(C)CC1)c1ccc(C#N)cc1
InChIInChI=1S/C14H20N4/c1-12(14-5-3-13(11-15)4-6-14)16-18-9-7-17(2)8-10-18/h3-6,12,16H,7-10H2,1-2H3
InChIKeyGWHRFVNAOGBEFT-UHFFFAOYSA-N
XLogP1.37
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[1-[(4-methylpiperazin-1-yl)amino]ethyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-chlorophenyl)ethyl]-4-methylpiperazin-1-amine
CID 83009968
N-[1-(4-ethoxyphenyl)ethyl]-4-methylpiperazin-1-amine
CID 83009089
4-[[[(1R)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]amino]methyl]benzonitrile
CID 95582639
N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-methylpiperazin-1-amine
CID 83069233
4-[1-(propan-2-ylamino)ethyl]benzonitrile
CID 43190054
4-cyano-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 78909293
4-[1-(4-cyanoanilino)ethyl]benzonitrile
CID 43195294
4-(4-methylpiperazin-1-yl)benzonitrile
CID 763205
4-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]benzonitrile
CID 43692380
N-[1-(3-methoxyphenyl)ethyl]-4-methylpiperazin-1-amine
CID 83010286
4-[[[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]methyl]benzonitrile
CID 94193713
4-[1-[(1-cyclopropylpiperidin-4-yl)amino]ethyl]benzonitrile
CID 43747068

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-methylpiperazin-1-yl)amino]ethyl]benzonitrile?
The IUPAC name of 4-[1-[(4-methylpiperazin-1-yl)amino]ethyl]benzonitrile (CID 83009779) is 4-[1-[(4-methylpiperazin-1-yl)amino]ethyl]benzonitrile.
What is the SMILES notation for 4-[1-[(4-methylpiperazin-1-yl)amino]ethyl]benzonitrile?
The canonical SMILES for 4-[1-[(4-methylpiperazin-1-yl)amino]ethyl]benzonitrile is CC(NN1CCN(C)CC1)c1ccc(C#N)cc1.
What is the InChIKey of 4-[1-[(4-methylpiperazin-1-yl)amino]ethyl]benzonitrile?
The InChIKey is GWHRFVNAOGBEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-12(14-5-3-13(11-15)4-6-14)16-18-9-7-17(2)8-10-18/h3-6,12,16H,7-10H2,1-2H3.
What are the key properties of 4-[1-[(4-methylpiperazin-1-yl)amino]ethyl]benzonitrile?
4-[1-[(4-methylpiperazin-1-yl)amino]ethyl]benzonitrile has a molecular weight of 244.34 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-methylpiperazin-1-yl)amino]ethyl]benzonitrile is sourced from PubChem (CID 83009779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).