3-(4-propylpiperazin-1-yl)benzonitrile

C14H19N3 — CID 22397822

IUPAC3-(4-propylpiperazin-1-yl)benzonitrile
SMILESCCCN1CCN(c2cccc(C#N)c2)CC1
InChIInChI=1S/C14H19N3/c1-2-6-16-7-9-17(10-8-16)14-5-3-4-13(11-14)12-15/h3-5,11H,2,6-10H2,1H3
InChIKeyPZPVLBXASPDCHR-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.09
Rot. Bonds3

About 3-(4-propylpiperazin-1-yl)benzonitrile

3-(4-propylpiperazin-1-yl)benzonitrile (PubChem CID 22397822) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 3-(4-propylpiperazin-1-yl)benzonitrile.

Molecular Properties

Compound Name3-(4-propylpiperazin-1-yl)benzonitrile
PubChem CID22397822
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name3-(4-propylpiperazin-1-yl)benzonitrile
SMILESCCCN1CCN(c2cccc(C#N)c2)CC1
InChIInChI=1S/C14H19N3/c1-2-6-16-7-9-17(10-8-16)14-5-3-4-13(11-14)12-15/h3-5,11H,2,6-10H2,1H3
InChIKeyPZPVLBXASPDCHR-UHFFFAOYSA-N
XLogP2.09
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethylpiperazin-1-yl)benzonitrile
CID 83779762
3-[4-[2-(4-methylcyclohexyl)ethyl]piperazin-1-yl]benzonitrile
CID 166832836
3-[4-(3-cyanophenyl)piperazin-1-yl]propanoic acid
CID 117028290
1-(3-methylphenyl)-4-propylpiperazine
CID 44570658
3-[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]benzonitrile
CID 171327434
3-[4-(4-chlorophenyl)piperazin-1-yl]benzonitrile
CID 102815269
3-[2-(4-propylpiperazin-1-yl)ethoxy]benzonitrile
CID 43288798
[3-(4-propylpiperazin-1-yl)phenyl]methanamine
CID 102813325
2-bromo-4-(4-propylpiperazin-1-yl)benzonitrile
CID 107275851
3-[(4-phenylpiperazin-1-yl)methyl]benzonitrile
CID 3846774
3-(4-ethyl-3-oxopiperazin-1-yl)benzonitrile
CID 117013635
3-[[4-(3-cyanophenyl)piperazin-1-yl]methyl]benzoic acid
CID 67507474

Frequently Asked Questions

What is the IUPAC name of 3-(4-propylpiperazin-1-yl)benzonitrile?
The IUPAC name of 3-(4-propylpiperazin-1-yl)benzonitrile (CID 22397822) is 3-(4-propylpiperazin-1-yl)benzonitrile.
What is the SMILES notation for 3-(4-propylpiperazin-1-yl)benzonitrile?
The canonical SMILES for 3-(4-propylpiperazin-1-yl)benzonitrile is CCCN1CCN(c2cccc(C#N)c2)CC1.
What is the InChIKey of 3-(4-propylpiperazin-1-yl)benzonitrile?
The InChIKey is PZPVLBXASPDCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-2-6-16-7-9-17(10-8-16)14-5-3-4-13(11-14)12-15/h3-5,11H,2,6-10H2,1H3.
What are the key properties of 3-(4-propylpiperazin-1-yl)benzonitrile?
3-(4-propylpiperazin-1-yl)benzonitrile has a molecular weight of 229.33 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propylpiperazin-1-yl)benzonitrile is sourced from PubChem (CID 22397822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).