2-(4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetonitrile

C18H20N4 — CID 84756581

IUPAC2-(4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetonitrile
SMILESCc1ccc(C(C#N)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C18H20N4/c1-15-5-7-16(8-6-15)17(14-19)21-10-12-22(13-11-21)18-4-2-3-9-20-18/h2-9,17H,10-13H2,1H3
InChIKeyUZFSFCMCTPOQEP-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.78
Rot. Bonds3

About 2-(4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetonitrile

2-(4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetonitrile (PubChem CID 84756581) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 2-(4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetonitrile
PubChem CID84756581
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name2-(4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetonitrile
SMILESCc1ccc(C(C#N)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C18H20N4/c1-15-5-7-16(8-6-15)17(14-19)21-10-12-22(13-11-21)18-4-2-3-9-20-18/h2-9,17H,10-13H2,1H3
InChIKeyUZFSFCMCTPOQEP-UHFFFAOYSA-N
XLogP2.78
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetonitrile 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

2-(2-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetonitrile
CID 84756586
2-(4-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetonitrile
CID 84756597
1-(4-methylphenyl)-4-pyridin-2-yl-1,4-diazepane
CID 142175555
2-(4-methylphenyl)-5-[(1S)-1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 9396200
3-(4-pyridin-2-ylpiperazin-1-yl)butan-2-ol
CID 78976730
(2R)-2-[4-(2-cyanopropan-2-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid
CID 97186949
5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carbonitrile
CID 63659628
1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one
CID 54720775
(2S)-2-(4-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 7354583
2-(4-methylphenyl)-2-(4-propanoylpiperazin-1-yl)acetonitrile
CID 110349764
2-(4-phenylphenyl)-2-pyrrolidin-1-ylacetonitrile
CID 43802794
1-(6-methyl-2-pyridinyl)-4-pyridin-2-ylpiperazine
CID 133313241

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetonitrile?
The IUPAC name of 2-(4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetonitrile (CID 84756581) is 2-(4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetonitrile.
What is the SMILES notation for 2-(4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetonitrile?
The canonical SMILES for 2-(4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetonitrile is Cc1ccc(C(C#N)N2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetonitrile?
The InChIKey is UZFSFCMCTPOQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-15-5-7-16(8-6-15)17(14-19)21-10-12-22(13-11-21)18-4-2-3-9-20-18/h2-9,17H,10-13H2,1H3.
What are the key properties of 2-(4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetonitrile?
2-(4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetonitrile has a molecular weight of 292.39 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetonitrile is sourced from PubChem (CID 84756581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).