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

C12H14N2O — CID 11790268

IUPAC4-(3-hydroxypiperidin-1-yl)benzonitrile
SMILESN#Cc1ccc(N2CCCC(O)C2)cc1
InChIInChI=1S/C12H14N2O/c13-8-10-3-5-11(6-4-10)14-7-1-2-12(15)9-14/h3-6,12,15H,1-2,7,9H2
InChIKeySNVGETHPJOYMHG-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.52
Rot. Bonds1

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

4-(3-hydroxypiperidin-1-yl)benzonitrile (PubChem CID 11790268) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 4-(3-hydroxypiperidin-1-yl)benzonitrile.

Molecular Properties

Compound Name4-(3-hydroxypiperidin-1-yl)benzonitrile
PubChem CID11790268
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name4-(3-hydroxypiperidin-1-yl)benzonitrile
SMILESN#Cc1ccc(N2CCCC(O)C2)cc1
InChIInChI=1S/C12H14N2O/c13-8-10-3-5-11(6-4-10)14-7-1-2-12(15)9-14/h3-6,12,15H,1-2,7,9H2
InChIKeySNVGETHPJOYMHG-UHFFFAOYSA-N
XLogP1.52
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxypiperidin-1-yl)benzonitrile?
The IUPAC name of 4-(3-hydroxypiperidin-1-yl)benzonitrile (CID 11790268) is 4-(3-hydroxypiperidin-1-yl)benzonitrile.
What is the SMILES notation for 4-(3-hydroxypiperidin-1-yl)benzonitrile?
The canonical SMILES for 4-(3-hydroxypiperidin-1-yl)benzonitrile is N#Cc1ccc(N2CCCC(O)C2)cc1.
What is the InChIKey of 4-(3-hydroxypiperidin-1-yl)benzonitrile?
The InChIKey is SNVGETHPJOYMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c13-8-10-3-5-11(6-4-10)14-7-1-2-12(15)9-14/h3-6,12,15H,1-2,7,9H2.
What are the key properties of 4-(3-hydroxypiperidin-1-yl)benzonitrile?
4-(3-hydroxypiperidin-1-yl)benzonitrile has a molecular weight of 202.26 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypiperidin-1-yl)benzonitrile is sourced from PubChem (CID 11790268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).