3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropanenitrile

C9H14N2O2 — CID 104920596

IUPAC3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropanenitrile
SMILESCC1CCN(C(=O)CC#N)CC1O
InChIInChI=1S/C9H14N2O2/c1-7-3-5-11(6-8(7)12)9(13)2-4-10/h7-8,12H,2-3,5-6H2,1H3
InChIKeyYOHURALMFNSGKM-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.13
Rot. Bonds1

About 3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropanenitrile

3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropanenitrile (PubChem CID 104920596) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropanenitrile.

Molecular Properties

Compound Name3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropanenitrile
PubChem CID104920596
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropanenitrile
SMILESCC1CCN(C(=O)CC#N)CC1O
InChIInChI=1S/C9H14N2O2/c1-7-3-5-11(6-8(7)12)9(13)2-4-10/h7-8,12H,2-3,5-6H2,1H3
InChIKeyYOHURALMFNSGKM-UHFFFAOYSA-N
XLogP0.13
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropanenitrile 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-(3-hydroxy-4-methylpyrrolidin-1-yl)-3-oxopropanenitrile
CID 130857730
3-[(3R,4R)-3-(dimethylamino)-4-methylpiperidin-1-yl]-3-oxopropanenitrile
CID 58332184
[1-(2-cyanoacetyl)-4-methylpiperidin-3-yl]carbamic acid
CID 70922025
3-[(3R,4R)-3-[tert-butyl(methyl)amino]-4-methylpiperidin-1-yl]-3-oxopropanenitrile
CID 171457642
2-(ethylamino)-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 102957086
1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 103900653
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-oxopropanenitrile
CID 43620418
1-(2-cyanoacetyl)pyrrolidine-3-carboxamide
CID 104919327
1-(3-hydroxy-4-methylpiperidin-1-yl)decan-1-one
CID 103900332
1-(2-cyanoacetyl)-N-methylpyrrolidine-3-carboxamide
CID 130957847
2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-2-methylbutanenitrile
CID 102957679
3-oxo-3-(4-propan-2-ylpiperidin-1-yl)propanenitrile
CID 58641605

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropanenitrile?
The IUPAC name of 3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropanenitrile (CID 104920596) is 3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropanenitrile.
What is the SMILES notation for 3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropanenitrile?
The canonical SMILES for 3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropanenitrile is CC1CCN(C(=O)CC#N)CC1O.
What is the InChIKey of 3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropanenitrile?
The InChIKey is YOHURALMFNSGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-7-3-5-11(6-8(7)12)9(13)2-4-10/h7-8,12H,2-3,5-6H2,1H3.
What are the key properties of 3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropanenitrile?
3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropanenitrile has a molecular weight of 182.22 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropanenitrile is sourced from PubChem (CID 104920596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).