2-[4-(4-hydroxyphenyl)piperazin-1-yl]benzene-1,3-dicarbonitrile

C18H16N4O — CID 133498279

IUPAC2-[4-(4-hydroxyphenyl)piperazin-1-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C18H16N4O/c19-12-14-2-1-3-15(13-20)18(14)22-10-8-21(9-11-22)16-4-6-17(23)7-5-16/h1-7,23H,8-11H2
InChIKeyHADJELSWJVGFGI-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.46
Rot. Bonds2

About 2-[4-(4-hydroxyphenyl)piperazin-1-yl]benzene-1,3-dicarbonitrile

2-[4-(4-hydroxyphenyl)piperazin-1-yl]benzene-1,3-dicarbonitrile (PubChem CID 133498279) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[4-(4-hydroxyphenyl)piperazin-1-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-[4-(4-hydroxyphenyl)piperazin-1-yl]benzene-1,3-dicarbonitrile
PubChem CID133498279
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name2-[4-(4-hydroxyphenyl)piperazin-1-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C18H16N4O/c19-12-14-2-1-3-15(13-20)18(14)22-10-8-21(9-11-22)16-4-6-17(23)7-5-16/h1-7,23H,8-11H2
InChIKeyHADJELSWJVGFGI-UHFFFAOYSA-N
XLogP2.46
TPSA74.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 51167878
2-(4-hydroxypiperidin-1-yl)-3-methylbenzonitrile
CID 107106376
4-(4-phosphanylpiperazin-1-yl)phenol
CID 129203911
3-bromo-2-piperidin-1-ylbenzonitrile
CID 171316325
2-(4-acetylpiperazin-1-yl)-3-fluorobenzonitrile
CID 175744294
4-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 78885767
2-[4-(cyanomethyl)piperazin-1-yl]-3-methylbenzonitrile
CID 107106228
2-(2-cyclopropylmorpholin-4-yl)benzene-1,3-dicarbonitrile
CID 154800229
2-[(E)-3-[4-(3-hydroxyphenyl)piperazin-1-yl]-3-oxoprop-1-enyl]benzonitrile
CID 75402289
2-bromo-4-(4-phenylpiperazin-1-yl)benzonitrile
CID 107275801
4-[4-[4-[bis(phosphanyl)amino]phenyl]piperazin-1-yl]phenol
CID 18738299
4-[3,5-bis(4-hydroxyphenyl)-1,3,5-triazinan-1-yl]phenol
CID 130393627

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-hydroxyphenyl)piperazin-1-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 2-[4-(4-hydroxyphenyl)piperazin-1-yl]benzene-1,3-dicarbonitrile (CID 133498279) is 2-[4-(4-hydroxyphenyl)piperazin-1-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-[4-(4-hydroxyphenyl)piperazin-1-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-[4-(4-hydroxyphenyl)piperazin-1-yl]benzene-1,3-dicarbonitrile is N#Cc1cccc(C#N)c1N1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of 2-[4-(4-hydroxyphenyl)piperazin-1-yl]benzene-1,3-dicarbonitrile?
The InChIKey is HADJELSWJVGFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c19-12-14-2-1-3-15(13-20)18(14)22-10-8-21(9-11-22)16-4-6-17(23)7-5-16/h1-7,23H,8-11H2.
What are the key properties of 2-[4-(4-hydroxyphenyl)piperazin-1-yl]benzene-1,3-dicarbonitrile?
2-[4-(4-hydroxyphenyl)piperazin-1-yl]benzene-1,3-dicarbonitrile has a molecular weight of 304.35 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-hydroxyphenyl)piperazin-1-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 133498279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).