2-fluoro-6-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]benzonitrile

C20H22FN3O2 — CID 9025171

IUPAC2-fluoro-6-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]benzonitrile
SMILESCOc1ccc(OCCN2CCN(c3cccc(F)c3C#N)CC2)cc1
InChIInChI=1S/C20H22FN3O2/c1-25-16-5-7-17(8-6-16)26-14-13-23-9-11-24(12-10-23)20-4-2-3-19(21)18(20)15-22/h2-8H,9-14H2,1H3
InChIKeyBJZZJSOKUUNVAG-UHFFFAOYSA-N
MW355.41 g/mol
LogP2.91
Rot. Bonds6

About 2-fluoro-6-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]benzonitrile

2-fluoro-6-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]benzonitrile (PubChem CID 9025171) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 2-fluoro-6-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]benzonitrile
PubChem CID9025171
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name2-fluoro-6-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]benzonitrile
SMILESCOc1ccc(OCCN2CCN(c3cccc(F)c3C#N)CC2)cc1
InChIInChI=1S/C20H22FN3O2/c1-25-16-5-7-17(8-6-16)26-14-13-23-9-11-24(12-10-23)20-4-2-3-19(21)18(20)15-22/h2-8H,9-14H2,1H3
InChIKeyBJZZJSOKUUNVAG-UHFFFAOYSA-N
XLogP2.91
TPSA48.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-6-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]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

1-(2-fluorophenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine
CID 45006688
2-fluoro-6-[4-(5-hydroxypentyl)piperazin-1-yl]benzonitrile
CID 110923709
2-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]-N-methyl-N-(3-phenoxypropyl)acetamide
CID 60508939
2-fluoro-6-[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]benzonitrile
CID 95339349
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-6-fluorobenzonitrile
CID 9024869
2-fluoro-6-(4-methyl-1,4-diazepan-1-yl)benzonitrile
CID 47114120
2,6-dimethyl-4-[4-(2-phenoxyethyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 133396442
2-fluoro-6-[4-(3-methoxybenzoyl)piperazin-1-yl]benzonitrile
CID 36724822
4-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]benzonitrile
CID 9398842
5-[[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]methyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 55680452
1-[2-(4-methoxyphenoxy)ethyl]-4-(4-methoxyphenyl)sulfanylpiperazine
CID 145385091
N-(2,6-difluorophenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
CID 113110261

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]benzonitrile?
The IUPAC name of 2-fluoro-6-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]benzonitrile (CID 9025171) is 2-fluoro-6-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]benzonitrile?
The canonical SMILES for 2-fluoro-6-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]benzonitrile is COc1ccc(OCCN2CCN(c3cccc(F)c3C#N)CC2)cc1.
What is the InChIKey of 2-fluoro-6-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]benzonitrile?
The InChIKey is BJZZJSOKUUNVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-25-16-5-7-17(8-6-16)26-14-13-23-9-11-24(12-10-23)20-4-2-3-19(21)18(20)15-22/h2-8H,9-14H2,1H3.
What are the key properties of 2-fluoro-6-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]benzonitrile?
2-fluoro-6-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]benzonitrile has a molecular weight of 355.41 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]benzonitrile is sourced from PubChem (CID 9025171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).