2-hydroxy-2-piperidin-3-ylpropanenitrile

C8H14N2O — CID 173142831

IUPAC2-hydroxy-2-piperidin-3-ylpropanenitrile
SMILESCC(O)(C#N)C1CCCNC1
InChIInChI=1S/C8H14N2O/c1-8(11,6-9)7-3-2-4-10-5-7/h7,10-11H,2-5H2,1H3
InChIKeySNWNSVBPCSDUIQ-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.26
Rot. Bonds1

About 2-hydroxy-2-piperidin-3-ylpropanenitrile

2-hydroxy-2-piperidin-3-ylpropanenitrile (PubChem CID 173142831) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-hydroxy-2-piperidin-3-ylpropanenitrile.

Molecular Properties

Compound Name2-hydroxy-2-piperidin-3-ylpropanenitrile
PubChem CID173142831
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-hydroxy-2-piperidin-3-ylpropanenitrile
SMILESCC(O)(C#N)C1CCCNC1
InChIInChI=1S/C8H14N2O/c1-8(11,6-9)7-3-2-4-10-5-7/h7,10-11H,2-5H2,1H3
InChIKeySNWNSVBPCSDUIQ-UHFFFAOYSA-N
XLogP0.26
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-hydroxy-2-piperidin-3-ylpropanenitrile 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 2-hydroxy-2-piperidin-3-ylpropanenitrile?
The IUPAC name of 2-hydroxy-2-piperidin-3-ylpropanenitrile (CID 173142831) is 2-hydroxy-2-piperidin-3-ylpropanenitrile.
What is the SMILES notation for 2-hydroxy-2-piperidin-3-ylpropanenitrile?
The canonical SMILES for 2-hydroxy-2-piperidin-3-ylpropanenitrile is CC(O)(C#N)C1CCCNC1.
What is the InChIKey of 2-hydroxy-2-piperidin-3-ylpropanenitrile?
The InChIKey is SNWNSVBPCSDUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-8(11,6-9)7-3-2-4-10-5-7/h7,10-11H,2-5H2,1H3.
What are the key properties of 2-hydroxy-2-piperidin-3-ylpropanenitrile?
2-hydroxy-2-piperidin-3-ylpropanenitrile has a molecular weight of 154.21 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-piperidin-3-ylpropanenitrile is sourced from PubChem (CID 173142831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).