3-(4-ethoxypiperidin-1-yl)-2-methylpropanenitrile

C11H20N2O — CID 61220882

IUPAC3-(4-ethoxypiperidin-1-yl)-2-methylpropanenitrile
SMILESCCOC1CCN(CC(C)C#N)CC1
InChIInChI=1S/C11H20N2O/c1-3-14-11-4-6-13(7-5-11)9-10(2)8-12/h10-11H,3-7,9H2,1-2H3
InChIKeyZNOLKSGHNQFCAT-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.65
Rot. Bonds4

About 3-(4-ethoxypiperidin-1-yl)-2-methylpropanenitrile

3-(4-ethoxypiperidin-1-yl)-2-methylpropanenitrile (PubChem CID 61220882) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-(4-ethoxypiperidin-1-yl)-2-methylpropanenitrile.

Molecular Properties

Compound Name3-(4-ethoxypiperidin-1-yl)-2-methylpropanenitrile
PubChem CID61220882
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-(4-ethoxypiperidin-1-yl)-2-methylpropanenitrile
SMILESCCOC1CCN(CC(C)C#N)CC1
InChIInChI=1S/C11H20N2O/c1-3-14-11-4-6-13(7-5-11)9-10(2)8-12/h10-11H,3-7,9H2,1-2H3
InChIKeyZNOLKSGHNQFCAT-UHFFFAOYSA-N
XLogP1.65
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azetidin-1-yl)-2-methylpropanenitrile
CID 130161753
4-(4-ethoxypiperidin-1-yl)-2-(methylamino)butanenitrile
CID 63027329
3-(4-ethoxypiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide
CID 61220902
2-methyl-3-thiomorpholin-4-ylpropanenitrile
CID 43174855
(2S)-2-methyl-3-morpholin-4-ylpropanenitrile
CID 39161429
4-[3-(4-ethoxypiperidin-1-yl)-2-hydroxypropoxy]benzonitrile
CID 110901888
3-(4-butan-2-ylpiperazin-1-yl)-2-methylpropanenitrile
CID 62772469
4-ethoxy-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine
CID 171070473
4-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-(2-methylpropyl)piperidine
CID 166035331
N-[1-cyclopropyl-2-(4-ethoxypiperidin-1-yl)ethyl]propan-1-amine
CID 63914310
1-(2-bromoethyl)-4-ethoxypiperidine
CID 61288374
3-(4-ethylsulfonylpiperazin-1-yl)-2-methylpropanenitrile
CID 82020251

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxypiperidin-1-yl)-2-methylpropanenitrile?
The IUPAC name of 3-(4-ethoxypiperidin-1-yl)-2-methylpropanenitrile (CID 61220882) is 3-(4-ethoxypiperidin-1-yl)-2-methylpropanenitrile.
What is the SMILES notation for 3-(4-ethoxypiperidin-1-yl)-2-methylpropanenitrile?
The canonical SMILES for 3-(4-ethoxypiperidin-1-yl)-2-methylpropanenitrile is CCOC1CCN(CC(C)C#N)CC1.
What is the InChIKey of 3-(4-ethoxypiperidin-1-yl)-2-methylpropanenitrile?
The InChIKey is ZNOLKSGHNQFCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-14-11-4-6-13(7-5-11)9-10(2)8-12/h10-11H,3-7,9H2,1-2H3.
What are the key properties of 3-(4-ethoxypiperidin-1-yl)-2-methylpropanenitrile?
3-(4-ethoxypiperidin-1-yl)-2-methylpropanenitrile has a molecular weight of 196.29 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxypiperidin-1-yl)-2-methylpropanenitrile is sourced from PubChem (CID 61220882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).