2-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)acetonitrile

C14H17F2N3 — CID 84746336

IUPAC2-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)acetonitrile
SMILESCCN1CCN(C(C#N)c2ccc(F)cc2F)CC1
InChIInChI=1S/C14H17F2N3/c1-2-18-5-7-19(8-6-18)14(10-17)12-4-3-11(15)9-13(12)16/h3-4,9,14H,2,5-8H2,1H3
InChIKeyJVXPUWTYFUHIKZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.17
Rot. Bonds3

About 2-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)acetonitrile

2-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)acetonitrile (PubChem CID 84746336) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)acetonitrile
PubChem CID84746336
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)acetonitrile
SMILESCCN1CCN(C(C#N)c2ccc(F)cc2F)CC1
InChIInChI=1S/C14H17F2N3/c1-2-18-5-7-19(8-6-18)14(10-17)12-4-3-11(15)9-13(12)16/h3-4,9,14H,2,5-8H2,1H3
InChIKeyJVXPUWTYFUHIKZ-UHFFFAOYSA-N
XLogP2.17
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,4-difluorophenyl)-2-(4-ethylpiperazin-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-(2,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)acetonitrile
CID 84756935
2-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 16791134
2-(2,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)acetonitrile
CID 84756687
2-(2,5-difluorophenyl)-2-(4-methylpiperazin-1-yl)acetonitrile
CID 65420307
1-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 16785018
4-[1-(4-ethylpiperazin-1-yl)ethyl]-3-fluoroaniline
CID 154967774
2-[4-(diethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)acetonitrile
CID 83978229
2-piperidin-1-yl-2-(2,4,5-trifluorophenyl)acetonitrile
CID 114058088
2-[4-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]acetamide
CID 94435985
2-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]acetamide
CID 56818364
2-(4-ethylpiperazin-1-yl)-2-(4-methoxy-3-propan-2-yloxyphenyl)acetonitrile
CID 112540127
1-[1-(2,4-difluorophenyl)propyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine
CID 71988927

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)acetonitrile?
The IUPAC name of 2-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)acetonitrile (CID 84746336) is 2-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)acetonitrile.
What is the SMILES notation for 2-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)acetonitrile?
The canonical SMILES for 2-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)acetonitrile is CCN1CCN(C(C#N)c2ccc(F)cc2F)CC1.
What is the InChIKey of 2-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)acetonitrile?
The InChIKey is JVXPUWTYFUHIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-2-18-5-7-19(8-6-18)14(10-17)12-4-3-11(15)9-13(12)16/h3-4,9,14H,2,5-8H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)acetonitrile?
2-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)acetonitrile has a molecular weight of 265.31 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)acetonitrile is sourced from PubChem (CID 84746336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).