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

C17H17FN4 — CID 84756586

IUPAC2-(2-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetonitrile
SMILESN#CC(c1ccccc1F)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H17FN4/c18-15-6-2-1-5-14(15)16(13-19)21-9-11-22(12-10-21)17-7-3-4-8-20-17/h1-8,16H,9-12H2
InChIKeyVJWLUBJUUOEDQG-UHFFFAOYSA-N
MW296.35 g/mol
LogP2.61
Rot. Bonds3

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

2-(2-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetonitrile (PubChem CID 84756586) has the molecular formula C17H17FN4 and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetonitrile
PubChem CID84756586
Molecular FormulaC17H17FN4
Molecular Weight296.35 g/mol
Exact Mass296.14
IUPAC Name2-(2-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetonitrile
SMILESN#CC(c1ccccc1F)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H17FN4/c18-15-6-2-1-5-14(15)16(13-19)21-9-11-22(12-10-21)17-7-3-4-8-20-17/h1-8,16H,9-12H2
InChIKeyVJWLUBJUUOEDQG-UHFFFAOYSA-N
XLogP2.61
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-fluorophenyl)-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-pyrimidin-2-ylpiperazin-1-yl)acetonitrile
CID 84756598
2-(4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetonitrile
CID 84756581
2-[(S)-(2-fluorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole
CID 92893066
2-(2-fluorophenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetonitrile
CID 110349546
2-(4-benzoylpiperazin-1-yl)-2-(2-fluorophenyl)acetonitrile
CID 110349512
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
2-(2-fluorophenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetonitrile
CID 110349545
2-(3-aminoazetidin-1-yl)-2-(2-fluorophenyl)acetonitrile
CID 121209842
2-(4-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetonitrile
CID 84756597
(2R)-N-(2,6-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9459314
3-(4-pyridin-2-ylpiperazin-1-yl)butan-2-ol
CID 78976730
1-pyridin-2-yl-4-(2,3,4-trifluorophenyl)piperazine
CID 110454799

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetonitrile?
The IUPAC name of 2-(2-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetonitrile (CID 84756586) is 2-(2-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetonitrile.
What is the SMILES notation for 2-(2-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetonitrile?
The canonical SMILES for 2-(2-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetonitrile is N#CC(c1ccccc1F)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-(2-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetonitrile?
The InChIKey is VJWLUBJUUOEDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4/c18-15-6-2-1-5-14(15)16(13-19)21-9-11-22(12-10-21)17-7-3-4-8-20-17/h1-8,16H,9-12H2.
What are the key properties of 2-(2-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetonitrile?
2-(2-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetonitrile has a molecular weight of 296.35 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetonitrile is sourced from PubChem (CID 84756586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).