4-(4-hydroxypiperidin-1-yl)pyridine-2-carbonitrile

C11H13N3O — CID 62492159

IUPAC4-(4-hydroxypiperidin-1-yl)pyridine-2-carbonitrile
SMILESN#Cc1cc(N2CCC(O)CC2)ccn1
InChIInChI=1S/C11H13N3O/c12-8-9-7-10(1-4-13-9)14-5-2-11(15)3-6-14/h1,4,7,11,15H,2-3,5-6H2
InChIKeyKPGARLROWDXAAS-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.91
Rot. Bonds1

About 4-(4-hydroxypiperidin-1-yl)pyridine-2-carbonitrile

4-(4-hydroxypiperidin-1-yl)pyridine-2-carbonitrile (PubChem CID 62492159) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 4-(4-hydroxypiperidin-1-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(4-hydroxypiperidin-1-yl)pyridine-2-carbonitrile
PubChem CID62492159
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name4-(4-hydroxypiperidin-1-yl)pyridine-2-carbonitrile
SMILESN#Cc1cc(N2CCC(O)CC2)ccn1
InChIInChI=1S/C11H13N3O/c12-8-9-7-10(1-4-13-9)14-5-2-11(15)3-6-14/h1,4,7,11,15H,2-3,5-6H2
InChIKeyKPGARLROWDXAAS-UHFFFAOYSA-N
XLogP0.91
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxypiperidin-1-yl)pyridine-2-carbonitrile?
The IUPAC name of 4-(4-hydroxypiperidin-1-yl)pyridine-2-carbonitrile (CID 62492159) is 4-(4-hydroxypiperidin-1-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(4-hydroxypiperidin-1-yl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(4-hydroxypiperidin-1-yl)pyridine-2-carbonitrile is N#Cc1cc(N2CCC(O)CC2)ccn1.
What is the InChIKey of 4-(4-hydroxypiperidin-1-yl)pyridine-2-carbonitrile?
The InChIKey is KPGARLROWDXAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c12-8-9-7-10(1-4-13-9)14-5-2-11(15)3-6-14/h1,4,7,11,15H,2-3,5-6H2.
What are the key properties of 4-(4-hydroxypiperidin-1-yl)pyridine-2-carbonitrile?
4-(4-hydroxypiperidin-1-yl)pyridine-2-carbonitrile has a molecular weight of 203.25 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxypiperidin-1-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 62492159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).