2-(2-hydroxy-3-methoxyphenyl)-2-piperidin-1-ylacetonitrile

C14H18N2O2 — CID 2945376

IUPAC2-(2-hydroxy-3-methoxyphenyl)-2-piperidin-1-ylacetonitrile
SMILESCOc1cccc(C(C#N)N2CCCCC2)c1O
InChIInChI=1S/C14H18N2O2/c1-18-13-7-5-6-11(14(13)17)12(10-15)16-8-3-2-4-9-16/h5-7,12,17H,2-4,8-9H2,1H3
InChIKeyQXMYSEITVKCXRB-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.45
Rot. Bonds3

About 2-(2-hydroxy-3-methoxyphenyl)-2-piperidin-1-ylacetonitrile

2-(2-hydroxy-3-methoxyphenyl)-2-piperidin-1-ylacetonitrile (PubChem CID 2945376) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(2-hydroxy-3-methoxyphenyl)-2-piperidin-1-ylacetonitrile.

Molecular Properties

Compound Name2-(2-hydroxy-3-methoxyphenyl)-2-piperidin-1-ylacetonitrile
PubChem CID2945376
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-(2-hydroxy-3-methoxyphenyl)-2-piperidin-1-ylacetonitrile
SMILESCOc1cccc(C(C#N)N2CCCCC2)c1O
InChIInChI=1S/C14H18N2O2/c1-18-13-7-5-6-11(14(13)17)12(10-15)16-8-3-2-4-9-16/h5-7,12,17H,2-4,8-9H2,1H3
InChIKeyQXMYSEITVKCXRB-UHFFFAOYSA-N
XLogP2.45
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-(2-hydroxy-3-methoxyphenyl)-2-piperidin-1-ylacetonitrile 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-(2-hydroxy-3-methoxyphenyl)-2-piperidin-1-ylacetonitrile?
The IUPAC name of 2-(2-hydroxy-3-methoxyphenyl)-2-piperidin-1-ylacetonitrile (CID 2945376) is 2-(2-hydroxy-3-methoxyphenyl)-2-piperidin-1-ylacetonitrile.
What is the SMILES notation for 2-(2-hydroxy-3-methoxyphenyl)-2-piperidin-1-ylacetonitrile?
The canonical SMILES for 2-(2-hydroxy-3-methoxyphenyl)-2-piperidin-1-ylacetonitrile is COc1cccc(C(C#N)N2CCCCC2)c1O.
What is the InChIKey of 2-(2-hydroxy-3-methoxyphenyl)-2-piperidin-1-ylacetonitrile?
The InChIKey is QXMYSEITVKCXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-18-13-7-5-6-11(14(13)17)12(10-15)16-8-3-2-4-9-16/h5-7,12,17H,2-4,8-9H2,1H3.
What are the key properties of 2-(2-hydroxy-3-methoxyphenyl)-2-piperidin-1-ylacetonitrile?
2-(2-hydroxy-3-methoxyphenyl)-2-piperidin-1-ylacetonitrile has a molecular weight of 246.31 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-methoxyphenyl)-2-piperidin-1-ylacetonitrile is sourced from PubChem (CID 2945376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).