4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]benzonitrile

C22H24N2O — CID 143692391

IUPAC4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(OC3CCN(C4CCC4)CC3)cc2)cc1
InChIInChI=1S/C22H24N2O/c23-16-17-4-6-18(7-5-17)19-8-10-21(11-9-19)25-22-12-14-24(15-13-22)20-2-1-3-20/h4-11,20,22H,1-3,12-15H2
InChIKeyJFHJNCPAGYFLEJ-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.62
Rot. Bonds4

About 4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]benzonitrile

4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]benzonitrile (PubChem CID 143692391) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]benzonitrile
PubChem CID143692391
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(OC3CCN(C4CCC4)CC3)cc2)cc1
InChIInChI=1S/C22H24N2O/c23-16-17-4-6-18(7-5-17)19-8-10-21(11-9-19)25-22-12-14-24(15-13-22)20-2-1-3-20/h4-11,20,22H,1-3,12-15H2
InChIKeyJFHJNCPAGYFLEJ-UHFFFAOYSA-N
XLogP4.62
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]benzonitrile?
The IUPAC name of 4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]benzonitrile (CID 143692391) is 4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]benzonitrile.
What is the SMILES notation for 4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]benzonitrile?
The canonical SMILES for 4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]benzonitrile is N#Cc1ccc(-c2ccc(OC3CCN(C4CCC4)CC3)cc2)cc1.
What is the InChIKey of 4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]benzonitrile?
The InChIKey is JFHJNCPAGYFLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c23-16-17-4-6-18(7-5-17)19-8-10-21(11-9-19)25-22-12-14-24(15-13-22)20-2-1-3-20/h4-11,20,22H,1-3,12-15H2.
What are the key properties of 4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]benzonitrile?
4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]benzonitrile has a molecular weight of 332.45 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]benzonitrile is sourced from PubChem (CID 143692391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).