2-[(3-ethoxypiperidin-1-yl)methyl]pyridine

C13H20N2O — CID 56794054

IUPAC2-[(3-ethoxypiperidin-1-yl)methyl]pyridine
SMILESCCOC1CCCN(Cc2ccccn2)C1
InChIInChI=1S/C13H20N2O/c1-2-16-13-7-5-9-15(11-13)10-12-6-3-4-8-14-12/h3-4,6,8,13H,2,5,7,9-11H2,1H3
InChIKeyQVJGVDQKZXUTAK-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.08
Rot. Bonds4

About 2-[(3-ethoxypiperidin-1-yl)methyl]pyridine

2-[(3-ethoxypiperidin-1-yl)methyl]pyridine (PubChem CID 56794054) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[(3-ethoxypiperidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2-[(3-ethoxypiperidin-1-yl)methyl]pyridine
PubChem CID56794054
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-[(3-ethoxypiperidin-1-yl)methyl]pyridine
SMILESCCOC1CCCN(Cc2ccccn2)C1
InChIInChI=1S/C13H20N2O/c1-2-16-13-7-5-9-15(11-13)10-12-6-3-4-8-14-12/h3-4,6,8,13H,2,5,7,9-11H2,1H3
InChIKeyQVJGVDQKZXUTAK-UHFFFAOYSA-N
XLogP2.08
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(3-ethoxypiperidin-1-yl)methyl]pyridine 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-[(3-ethoxypiperidin-1-yl)methyl]pyridine?
The IUPAC name of 2-[(3-ethoxypiperidin-1-yl)methyl]pyridine (CID 56794054) is 2-[(3-ethoxypiperidin-1-yl)methyl]pyridine.
What is the SMILES notation for 2-[(3-ethoxypiperidin-1-yl)methyl]pyridine?
The canonical SMILES for 2-[(3-ethoxypiperidin-1-yl)methyl]pyridine is CCOC1CCCN(Cc2ccccn2)C1.
What is the InChIKey of 2-[(3-ethoxypiperidin-1-yl)methyl]pyridine?
The InChIKey is QVJGVDQKZXUTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-16-13-7-5-9-15(11-13)10-12-6-3-4-8-14-12/h3-4,6,8,13H,2,5,7,9-11H2,1H3.
What are the key properties of 2-[(3-ethoxypiperidin-1-yl)methyl]pyridine?
2-[(3-ethoxypiperidin-1-yl)methyl]pyridine has a molecular weight of 220.32 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxypiperidin-1-yl)methyl]pyridine is sourced from PubChem (CID 56794054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).