2-(4-hydroxy-3-methoxyphenyl)-2-piperidin-1-ylacetonitrile

C14H18N2O2 — CID 2878002

IUPAC2-(4-hydroxy-3-methoxyphenyl)-2-piperidin-1-ylacetonitrile
SMILESCOc1cc(C(C#N)N2CCCCC2)ccc1O
InChIInChI=1S/C14H18N2O2/c1-18-14-9-11(5-6-13(14)17)12(10-15)16-7-3-2-4-8-16/h5-6,9,12,17H,2-4,7-8H2,1H3
InChIKeyLRYNJESMABQHGG-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.45
Rot. Bonds3

About 2-(4-hydroxy-3-methoxyphenyl)-2-piperidin-1-ylacetonitrile

2-(4-hydroxy-3-methoxyphenyl)-2-piperidin-1-ylacetonitrile (PubChem CID 2878002) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(4-hydroxy-3-methoxyphenyl)-2-piperidin-1-ylacetonitrile.

Molecular Properties

Compound Name2-(4-hydroxy-3-methoxyphenyl)-2-piperidin-1-ylacetonitrile
PubChem CID2878002
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-(4-hydroxy-3-methoxyphenyl)-2-piperidin-1-ylacetonitrile
SMILESCOc1cc(C(C#N)N2CCCCC2)ccc1O
InChIInChI=1S/C14H18N2O2/c1-18-14-9-11(5-6-13(14)17)12(10-15)16-7-3-2-4-8-16/h5-6,9,12,17H,2-4,7-8H2,1H3
InChIKeyLRYNJESMABQHGG-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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-2-piperidin-1-ylacetonitrile?
The IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-2-piperidin-1-ylacetonitrile (CID 2878002) is 2-(4-hydroxy-3-methoxyphenyl)-2-piperidin-1-ylacetonitrile.
What is the SMILES notation for 2-(4-hydroxy-3-methoxyphenyl)-2-piperidin-1-ylacetonitrile?
The canonical SMILES for 2-(4-hydroxy-3-methoxyphenyl)-2-piperidin-1-ylacetonitrile is COc1cc(C(C#N)N2CCCCC2)ccc1O.
What is the InChIKey of 2-(4-hydroxy-3-methoxyphenyl)-2-piperidin-1-ylacetonitrile?
The InChIKey is LRYNJESMABQHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-18-14-9-11(5-6-13(14)17)12(10-15)16-7-3-2-4-8-16/h5-6,9,12,17H,2-4,7-8H2,1H3.
What are the key properties of 2-(4-hydroxy-3-methoxyphenyl)-2-piperidin-1-ylacetonitrile?
2-(4-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-(4-hydroxy-3-methoxyphenyl)-2-piperidin-1-ylacetonitrile is sourced from PubChem (CID 2878002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).