2-(3-ethyl-4-hydroxypiperidin-4-yl)-2-methylpropanenitrile

C11H20N2O — CID 114510696

IUPAC2-(3-ethyl-4-hydroxypiperidin-4-yl)-2-methylpropanenitrile
SMILESCCC1CNCCC1(O)C(C)(C)C#N
InChIInChI=1S/C11H20N2O/c1-4-9-7-13-6-5-11(9,14)10(2,3)8-12/h9,13-14H,4-7H2,1-3H3
InChIKeyARYUROJBFCQPHP-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.29
Rot. Bonds2

About 2-(3-ethyl-4-hydroxypiperidin-4-yl)-2-methylpropanenitrile

2-(3-ethyl-4-hydroxypiperidin-4-yl)-2-methylpropanenitrile (PubChem CID 114510696) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(3-ethyl-4-hydroxypiperidin-4-yl)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(3-ethyl-4-hydroxypiperidin-4-yl)-2-methylpropanenitrile
PubChem CID114510696
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-(3-ethyl-4-hydroxypiperidin-4-yl)-2-methylpropanenitrile
SMILESCCC1CNCCC1(O)C(C)(C)C#N
InChIInChI=1S/C11H20N2O/c1-4-9-7-13-6-5-11(9,14)10(2,3)8-12/h9,13-14H,4-7H2,1-3H3
InChIKeyARYUROJBFCQPHP-UHFFFAOYSA-N
XLogP1.29
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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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Related Compounds

4-(1-amino-2-methylbutan-2-yl)-3-ethylpiperidin-4-ol
CID 114510720
ethyl 2-(3-ethyl-4-hydroxypiperidin-4-yl)-2-methylpropanoate
CID 114510592
2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanenitrile
CID 79130079
4-(3-ethyl-4-hydroxypiperidin-4-yl)oxane-4-carbonitrile
CID 114510704
3-(3-ethyl-4-hydroxypiperidin-4-yl)oxolane-3-carbonitrile
CID 114510705
4-(4-tert-butylphenyl)-3-ethylpiperidin-4-ol
CID 114510286
3-ethyl-4-(prop-2-ynylamino)piperidine-4-carbonitrile
CID 114508078
3-ethyl-4-(2-methylsulfonylethyl)piperidin-4-ol
CID 114510260
3-ethyl-4-fluoro-4-methylpiperidine
CID 84716301
5-ethyl-3-azaspiro[5.11]heptadecane
CID 79321032
5-ethyl-3-azaspiro[5.7]tridecane
CID 79321134
3-ethyl-4-methyl-4-propylpiperidine
CID 79321517

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-hydroxypiperidin-4-yl)-2-methylpropanenitrile?
The IUPAC name of 2-(3-ethyl-4-hydroxypiperidin-4-yl)-2-methylpropanenitrile (CID 114510696) is 2-(3-ethyl-4-hydroxypiperidin-4-yl)-2-methylpropanenitrile.
What is the SMILES notation for 2-(3-ethyl-4-hydroxypiperidin-4-yl)-2-methylpropanenitrile?
The canonical SMILES for 2-(3-ethyl-4-hydroxypiperidin-4-yl)-2-methylpropanenitrile is CCC1CNCCC1(O)C(C)(C)C#N.
What is the InChIKey of 2-(3-ethyl-4-hydroxypiperidin-4-yl)-2-methylpropanenitrile?
The InChIKey is ARYUROJBFCQPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-9-7-13-6-5-11(9,14)10(2,3)8-12/h9,13-14H,4-7H2,1-3H3.
What are the key properties of 2-(3-ethyl-4-hydroxypiperidin-4-yl)-2-methylpropanenitrile?
2-(3-ethyl-4-hydroxypiperidin-4-yl)-2-methylpropanenitrile has a molecular weight of 196.29 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-hydroxypiperidin-4-yl)-2-methylpropanenitrile is sourced from PubChem (CID 114510696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).