4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2,2-diphenylbutanenitrile

C26H27N3O — CID 112799666

IUPAC4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2,2-diphenylbutanenitrile
SMILESN#CC(CCN1CCN(c2ccc(O)cc2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H27N3O/c27-21-26(22-7-3-1-4-8-22,23-9-5-2-6-10-23)15-16-28-17-19-29(20-18-28)24-11-13-25(30)14-12-24/h1-14,30H,15-20H2
InChIKeyWBZHJCZMMMFGGK-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.41
Rot. Bonds6

About 4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2,2-diphenylbutanenitrile

4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2,2-diphenylbutanenitrile (PubChem CID 112799666) has the molecular formula C26H27N3O and a molecular weight of 397.52 g/mol. Its IUPAC name is 4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2,2-diphenylbutanenitrile.

Molecular Properties

Compound Name4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2,2-diphenylbutanenitrile
PubChem CID112799666
Molecular FormulaC26H27N3O
Molecular Weight397.52 g/mol
Exact Mass397.22
IUPAC Name4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2,2-diphenylbutanenitrile
SMILESN#CC(CCN1CCN(c2ccc(O)cc2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H27N3O/c27-21-26(22-7-3-1-4-8-22,23-9-5-2-6-10-23)15-16-28-17-19-29(20-18-28)24-11-13-25(30)14-12-24/h1-14,30H,15-20H2
InChIKeyWBZHJCZMMMFGGK-UHFFFAOYSA-N
XLogP4.41
TPSA50.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2,2-diphenylbutanenitrile?
The IUPAC name of 4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2,2-diphenylbutanenitrile (CID 112799666) is 4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2,2-diphenylbutanenitrile.
What is the SMILES notation for 4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2,2-diphenylbutanenitrile?
The canonical SMILES for 4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2,2-diphenylbutanenitrile is N#CC(CCN1CCN(c2ccc(O)cc2)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2,2-diphenylbutanenitrile?
The InChIKey is WBZHJCZMMMFGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O/c27-21-26(22-7-3-1-4-8-22,23-9-5-2-6-10-23)15-16-28-17-19-29(20-18-28)24-11-13-25(30)14-12-24/h1-14,30H,15-20H2.
What are the key properties of 4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2,2-diphenylbutanenitrile?
4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2,2-diphenylbutanenitrile has a molecular weight of 397.52 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2,2-diphenylbutanenitrile is sourced from PubChem (CID 112799666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).