3-[2-(4-propylpiperazin-1-yl)ethoxy]benzonitrile

C16H23N3O — CID 43288798

IUPAC3-[2-(4-propylpiperazin-1-yl)ethoxy]benzonitrile
SMILESCCCN1CCN(CCOc2cccc(C#N)c2)CC1
InChIInChI=1S/C16H23N3O/c1-2-6-18-7-9-19(10-8-18)11-12-20-16-5-3-4-15(13-16)14-17/h3-5,13H,2,6-12H2,1H3
InChIKeyUOSCRKRQWNLUAD-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.96
Rot. Bonds6

About 3-[2-(4-propylpiperazin-1-yl)ethoxy]benzonitrile

3-[2-(4-propylpiperazin-1-yl)ethoxy]benzonitrile (PubChem CID 43288798) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[2-(4-propylpiperazin-1-yl)ethoxy]benzonitrile.

Molecular Properties

Compound Name3-[2-(4-propylpiperazin-1-yl)ethoxy]benzonitrile
PubChem CID43288798
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-[2-(4-propylpiperazin-1-yl)ethoxy]benzonitrile
SMILESCCCN1CCN(CCOc2cccc(C#N)c2)CC1
InChIInChI=1S/C16H23N3O/c1-2-6-18-7-9-19(10-8-18)11-12-20-16-5-3-4-15(13-16)14-17/h3-5,13H,2,6-12H2,1H3
InChIKeyUOSCRKRQWNLUAD-UHFFFAOYSA-N
XLogP1.96
TPSA39.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]benzonitrile
CID 43592078
3-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]benzonitrile
CID 103714071
3-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]benzonitrile
CID 60980737
3-[2-(8-azaspiro[4.5]decan-8-yl)ethoxy]benzonitrile
CID 63160927
3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]benzonitrile
CID 43592083
3-[3-(azocan-1-yl)propoxy]benzonitrile
CID 43288881
3-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]ethoxy]benzonitrile
CID 55832411
3-[2-(4-propylpiperazin-1-yl)ethoxy]aniline
CID 43174249
3-[2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethoxy]benzonitrile
CID 95285974
3-[2-(2-methylthiomorpholin-4-yl)ethoxy]benzonitrile
CID 115611866
3-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethoxy]benzonitrile
CID 79084884
3-[2-(2-methylmorpholin-4-yl)ethoxy]benzonitrile
CID 43288608

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-propylpiperazin-1-yl)ethoxy]benzonitrile?
The IUPAC name of 3-[2-(4-propylpiperazin-1-yl)ethoxy]benzonitrile (CID 43288798) is 3-[2-(4-propylpiperazin-1-yl)ethoxy]benzonitrile.
What is the SMILES notation for 3-[2-(4-propylpiperazin-1-yl)ethoxy]benzonitrile?
The canonical SMILES for 3-[2-(4-propylpiperazin-1-yl)ethoxy]benzonitrile is CCCN1CCN(CCOc2cccc(C#N)c2)CC1.
What is the InChIKey of 3-[2-(4-propylpiperazin-1-yl)ethoxy]benzonitrile?
The InChIKey is UOSCRKRQWNLUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-6-18-7-9-19(10-8-18)11-12-20-16-5-3-4-15(13-16)14-17/h3-5,13H,2,6-12H2,1H3.
What are the key properties of 3-[2-(4-propylpiperazin-1-yl)ethoxy]benzonitrile?
3-[2-(4-propylpiperazin-1-yl)ethoxy]benzonitrile has a molecular weight of 273.38 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-propylpiperazin-1-yl)ethoxy]benzonitrile is sourced from PubChem (CID 43288798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).