3-[1-(2-hydroxyacetyl)-4-methylpiperidin-4-yl]propanenitrile

C11H18N2O2 — CID 166168925

IUPAC3-[1-(2-hydroxyacetyl)-4-methylpiperidin-4-yl]propanenitrile
SMILESCC1(CCC#N)CCN(C(=O)CO)CC1
InChIInChI=1S/C11H18N2O2/c1-11(3-2-6-12)4-7-13(8-5-11)10(15)9-14/h14H,2-5,7-9H2,1H3
InChIKeyRNCCTSRQHNXNEY-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.91
Rot. Bonds3

About 3-[1-(2-hydroxyacetyl)-4-methylpiperidin-4-yl]propanenitrile

3-[1-(2-hydroxyacetyl)-4-methylpiperidin-4-yl]propanenitrile (PubChem CID 166168925) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-[1-(2-hydroxyacetyl)-4-methylpiperidin-4-yl]propanenitrile.

Molecular Properties

Compound Name3-[1-(2-hydroxyacetyl)-4-methylpiperidin-4-yl]propanenitrile
PubChem CID166168925
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-[1-(2-hydroxyacetyl)-4-methylpiperidin-4-yl]propanenitrile
SMILESCC1(CCC#N)CCN(C(=O)CO)CC1
InChIInChI=1S/C11H18N2O2/c1-11(3-2-6-12)4-7-13(8-5-11)10(15)9-14/h14H,2-5,7-9H2,1H3
InChIKeyRNCCTSRQHNXNEY-UHFFFAOYSA-N
XLogP0.91
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-(2-hydroxyacetyl)-4-methylpiperidin-4-yl]propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-methylcyclobutyl)propanenitrile
CID 59843558
3-(4-methyl-4-propan-2-ylpiperidin-1-yl)-3-oxopropanenitrile
CID 58394951
1-(4-tert-butyl-4-methoxypiperidin-1-yl)-2-hydroxyethanone
CID 166827927
1-[2-(2-methoxyethoxy)acetyl]-4-methylpiperidine-4-carbonitrile
CID 113368421
1-(4-ethyl-4-methylpiperidin-1-yl)butane-1,3-dione
CID 63163386
ethane;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 145315809
4-(azepan-1-yl)-4-oxobutanenitrile
CID 82111512
4-fluoro-1-[2-[[1-(2-hydroxyacetyl)-4-methylpiperidin-4-yl]amino]acetyl]pyrrolidine-2-carbonitrile
CID 10336493
3-(4-ethyl-4-methylpiperidin-1-yl)-2,2-dimethyl-3-oxopropanenitrile
CID 62734025
3-(4-fluoro-4-propan-2-ylpiperidin-1-yl)-3-oxopropanenitrile
CID 71085223
2-hydroxy-1-(1-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethanone
CID 129100900
4-(3-aminopropyl)-4-methylpiperidine-1-carboxylic acid
CID 154223183

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-hydroxyacetyl)-4-methylpiperidin-4-yl]propanenitrile?
The IUPAC name of 3-[1-(2-hydroxyacetyl)-4-methylpiperidin-4-yl]propanenitrile (CID 166168925) is 3-[1-(2-hydroxyacetyl)-4-methylpiperidin-4-yl]propanenitrile.
What is the SMILES notation for 3-[1-(2-hydroxyacetyl)-4-methylpiperidin-4-yl]propanenitrile?
The canonical SMILES for 3-[1-(2-hydroxyacetyl)-4-methylpiperidin-4-yl]propanenitrile is CC1(CCC#N)CCN(C(=O)CO)CC1.
What is the InChIKey of 3-[1-(2-hydroxyacetyl)-4-methylpiperidin-4-yl]propanenitrile?
The InChIKey is RNCCTSRQHNXNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-11(3-2-6-12)4-7-13(8-5-11)10(15)9-14/h14H,2-5,7-9H2,1H3.
What are the key properties of 3-[1-(2-hydroxyacetyl)-4-methylpiperidin-4-yl]propanenitrile?
3-[1-(2-hydroxyacetyl)-4-methylpiperidin-4-yl]propanenitrile has a molecular weight of 210.28 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-hydroxyacetyl)-4-methylpiperidin-4-yl]propanenitrile is sourced from PubChem (CID 166168925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).