2-(4-hydroxy-3-methylpiperidin-4-yl)pentanenitrile

C11H20N2O — CID 114502219

IUPAC2-(4-hydroxy-3-methylpiperidin-4-yl)pentanenitrile
SMILESCCCC(C#N)C1(O)CCNCC1C
InChIInChI=1S/C11H20N2O/c1-3-4-10(7-12)11(14)5-6-13-8-9(11)2/h9-10,13-14H,3-6,8H2,1-2H3
InChIKeyCDWBHXZISNVNTG-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.29
Rot. Bonds3

About 2-(4-hydroxy-3-methylpiperidin-4-yl)pentanenitrile

2-(4-hydroxy-3-methylpiperidin-4-yl)pentanenitrile (PubChem CID 114502219) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(4-hydroxy-3-methylpiperidin-4-yl)pentanenitrile.

Molecular Properties

Compound Name2-(4-hydroxy-3-methylpiperidin-4-yl)pentanenitrile
PubChem CID114502219
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-(4-hydroxy-3-methylpiperidin-4-yl)pentanenitrile
SMILESCCCC(C#N)C1(O)CCNCC1C
InChIInChI=1S/C11H20N2O/c1-3-4-10(7-12)11(14)5-6-13-8-9(11)2/h9-10,13-14H,3-6,8H2,1-2H3
InChIKeyCDWBHXZISNVNTG-UHFFFAOYSA-N
XLogP1.29
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-methylpiperidin-4-yl)pentanenitrile?
The IUPAC name of 2-(4-hydroxy-3-methylpiperidin-4-yl)pentanenitrile (CID 114502219) is 2-(4-hydroxy-3-methylpiperidin-4-yl)pentanenitrile.
What is the SMILES notation for 2-(4-hydroxy-3-methylpiperidin-4-yl)pentanenitrile?
The canonical SMILES for 2-(4-hydroxy-3-methylpiperidin-4-yl)pentanenitrile is CCCC(C#N)C1(O)CCNCC1C.
What is the InChIKey of 2-(4-hydroxy-3-methylpiperidin-4-yl)pentanenitrile?
The InChIKey is CDWBHXZISNVNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-4-10(7-12)11(14)5-6-13-8-9(11)2/h9-10,13-14H,3-6,8H2,1-2H3.
What are the key properties of 2-(4-hydroxy-3-methylpiperidin-4-yl)pentanenitrile?
2-(4-hydroxy-3-methylpiperidin-4-yl)pentanenitrile has a molecular weight of 196.29 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-methylpiperidin-4-yl)pentanenitrile is sourced from PubChem (CID 114502219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).