4-hydroxy-4-methyl-3-piperidin-1-ylpent-2-enenitrile

C11H18N2O — CID 23988723

IUPAC4-hydroxy-4-methyl-3-piperidin-1-ylpent-2-enenitrile
SMILESCC(C)(O)C(=CC#N)N1CCCCC1
InChIInChI=1S/C11H18N2O/c1-11(2,14)10(6-7-12)13-8-4-3-5-9-13/h6,14H,3-5,8-9H2,1-2H3
InChIKeyGEDRWCWZESMLMB-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.65
Rot. Bonds2

About 4-hydroxy-4-methyl-3-piperidin-1-ylpent-2-enenitrile

4-hydroxy-4-methyl-3-piperidin-1-ylpent-2-enenitrile (PubChem CID 23988723) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-hydroxy-4-methyl-3-piperidin-1-ylpent-2-enenitrile.

Molecular Properties

Compound Name4-hydroxy-4-methyl-3-piperidin-1-ylpent-2-enenitrile
PubChem CID23988723
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4-hydroxy-4-methyl-3-piperidin-1-ylpent-2-enenitrile
SMILESCC(C)(O)C(=CC#N)N1CCCCC1
InChIInChI=1S/C11H18N2O/c1-11(2,14)10(6-7-12)13-8-4-3-5-9-13/h6,14H,3-5,8-9H2,1-2H3
InChIKeyGEDRWCWZESMLMB-UHFFFAOYSA-N
XLogP1.65
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Analyze 4-hydroxy-4-methyl-3-piperidin-1-ylpent-2-enenitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-methyl-3-piperidin-1-ylpent-2-enenitrile?
The IUPAC name of 4-hydroxy-4-methyl-3-piperidin-1-ylpent-2-enenitrile (CID 23988723) is 4-hydroxy-4-methyl-3-piperidin-1-ylpent-2-enenitrile.
What is the SMILES notation for 4-hydroxy-4-methyl-3-piperidin-1-ylpent-2-enenitrile?
The canonical SMILES for 4-hydroxy-4-methyl-3-piperidin-1-ylpent-2-enenitrile is CC(C)(O)C(=CC#N)N1CCCCC1.
What is the InChIKey of 4-hydroxy-4-methyl-3-piperidin-1-ylpent-2-enenitrile?
The InChIKey is GEDRWCWZESMLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-11(2,14)10(6-7-12)13-8-4-3-5-9-13/h6,14H,3-5,8-9H2,1-2H3.
What are the key properties of 4-hydroxy-4-methyl-3-piperidin-1-ylpent-2-enenitrile?
4-hydroxy-4-methyl-3-piperidin-1-ylpent-2-enenitrile has a molecular weight of 194.28 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-methyl-3-piperidin-1-ylpent-2-enenitrile is sourced from PubChem (CID 23988723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).