2-(3-ethoxypiperidin-1-yl)pyridine-4-carbonitrile

C13H17N3O — CID 54989758

IUPAC2-(3-ethoxypiperidin-1-yl)pyridine-4-carbonitrile
SMILESCCOC1CCCN(c2cc(C#N)ccn2)C1
InChIInChI=1S/C13H17N3O/c1-2-17-12-4-3-7-16(10-12)13-8-11(9-14)5-6-15-13/h5-6,8,12H,2-4,7,10H2,1H3
InChIKeyIADSNKZNQKGKBX-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.96
Rot. Bonds3

About 2-(3-ethoxypiperidin-1-yl)pyridine-4-carbonitrile

2-(3-ethoxypiperidin-1-yl)pyridine-4-carbonitrile (PubChem CID 54989758) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(3-ethoxypiperidin-1-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(3-ethoxypiperidin-1-yl)pyridine-4-carbonitrile
PubChem CID54989758
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-(3-ethoxypiperidin-1-yl)pyridine-4-carbonitrile
SMILESCCOC1CCCN(c2cc(C#N)ccn2)C1
InChIInChI=1S/C13H17N3O/c1-2-17-12-4-3-7-16(10-12)13-8-11(9-14)5-6-15-13/h5-6,8,12H,2-4,7,10H2,1H3
InChIKeyIADSNKZNQKGKBX-UHFFFAOYSA-N
XLogP1.96
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypiperidin-1-yl)pyridine-4-carbonitrile?
The IUPAC name of 2-(3-ethoxypiperidin-1-yl)pyridine-4-carbonitrile (CID 54989758) is 2-(3-ethoxypiperidin-1-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(3-ethoxypiperidin-1-yl)pyridine-4-carbonitrile?
The canonical SMILES for 2-(3-ethoxypiperidin-1-yl)pyridine-4-carbonitrile is CCOC1CCCN(c2cc(C#N)ccn2)C1.
What is the InChIKey of 2-(3-ethoxypiperidin-1-yl)pyridine-4-carbonitrile?
The InChIKey is IADSNKZNQKGKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-17-12-4-3-7-16(10-12)13-8-11(9-14)5-6-15-13/h5-6,8,12H,2-4,7,10H2,1H3.
What are the key properties of 2-(3-ethoxypiperidin-1-yl)pyridine-4-carbonitrile?
2-(3-ethoxypiperidin-1-yl)pyridine-4-carbonitrile has a molecular weight of 231.30 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypiperidin-1-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 54989758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).