4-(4-hydroxypiperidin-1-yl)-2,2-diphenylbutanenitrile

C21H24N2O — CID 71463015

IUPAC4-(4-hydroxypiperidin-1-yl)-2,2-diphenylbutanenitrile
SMILESN#CC(CCN1CCC(O)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H24N2O/c22-17-21(18-7-3-1-4-8-18,19-9-5-2-6-10-19)13-16-23-14-11-20(24)12-15-23/h1-10,20,24H,11-16H2
InChIKeyARJFPJPBYJCZTA-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.34
Rot. Bonds5

About 4-(4-hydroxypiperidin-1-yl)-2,2-diphenylbutanenitrile

4-(4-hydroxypiperidin-1-yl)-2,2-diphenylbutanenitrile (PubChem CID 71463015) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 4-(4-hydroxypiperidin-1-yl)-2,2-diphenylbutanenitrile.

Molecular Properties

Compound Name4-(4-hydroxypiperidin-1-yl)-2,2-diphenylbutanenitrile
PubChem CID71463015
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name4-(4-hydroxypiperidin-1-yl)-2,2-diphenylbutanenitrile
SMILESN#CC(CCN1CCC(O)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H24N2O/c22-17-21(18-7-3-1-4-8-18,19-9-5-2-6-10-19)13-16-23-14-11-20(24)12-15-23/h1-10,20,24H,11-16H2
InChIKeyARJFPJPBYJCZTA-UHFFFAOYSA-N
XLogP3.34
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxypiperidin-1-yl)-2,2-diphenylbutanenitrile?
The IUPAC name of 4-(4-hydroxypiperidin-1-yl)-2,2-diphenylbutanenitrile (CID 71463015) is 4-(4-hydroxypiperidin-1-yl)-2,2-diphenylbutanenitrile.
What is the SMILES notation for 4-(4-hydroxypiperidin-1-yl)-2,2-diphenylbutanenitrile?
The canonical SMILES for 4-(4-hydroxypiperidin-1-yl)-2,2-diphenylbutanenitrile is N#CC(CCN1CCC(O)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(4-hydroxypiperidin-1-yl)-2,2-diphenylbutanenitrile?
The InChIKey is ARJFPJPBYJCZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c22-17-21(18-7-3-1-4-8-18,19-9-5-2-6-10-19)13-16-23-14-11-20(24)12-15-23/h1-10,20,24H,11-16H2.
What are the key properties of 4-(4-hydroxypiperidin-1-yl)-2,2-diphenylbutanenitrile?
4-(4-hydroxypiperidin-1-yl)-2,2-diphenylbutanenitrile has a molecular weight of 320.44 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxypiperidin-1-yl)-2,2-diphenylbutanenitrile is sourced from PubChem (CID 71463015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).