3,6-dichloro-2-[(4-ethoxypiperidin-1-yl)methyl]pyridine

C13H18Cl2N2O — CID 62892140

IUPAC3,6-dichloro-2-[(4-ethoxypiperidin-1-yl)methyl]pyridine
SMILESCCOC1CCN(Cc2nc(Cl)ccc2Cl)CC1
InChIInChI=1S/C13H18Cl2N2O/c1-2-18-10-5-7-17(8-6-10)9-12-11(14)3-4-13(15)16-12/h3-4,10H,2,5-9H2,1H3
InChIKeyDFZJROIHWIJVIA-UHFFFAOYSA-N
MW289.21 g/mol
LogP3.39
Rot. Bonds4

About 3,6-dichloro-2-[(4-ethoxypiperidin-1-yl)methyl]pyridine

3,6-dichloro-2-[(4-ethoxypiperidin-1-yl)methyl]pyridine (PubChem CID 62892140) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 3,6-dichloro-2-[(4-ethoxypiperidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name3,6-dichloro-2-[(4-ethoxypiperidin-1-yl)methyl]pyridine
PubChem CID62892140
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name3,6-dichloro-2-[(4-ethoxypiperidin-1-yl)methyl]pyridine
SMILESCCOC1CCN(Cc2nc(Cl)ccc2Cl)CC1
InChIInChI=1S/C13H18Cl2N2O/c1-2-18-10-5-7-17(8-6-10)9-12-11(14)3-4-13(15)16-12/h3-4,10H,2,5-9H2,1H3
InChIKeyDFZJROIHWIJVIA-UHFFFAOYSA-N
XLogP3.39
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3,6-dichloro-2-[(4-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 3,6-dichloro-2-[(4-ethoxypiperidin-1-yl)methyl]pyridine?
The IUPAC name of 3,6-dichloro-2-[(4-ethoxypiperidin-1-yl)methyl]pyridine (CID 62892140) is 3,6-dichloro-2-[(4-ethoxypiperidin-1-yl)methyl]pyridine.
What is the SMILES notation for 3,6-dichloro-2-[(4-ethoxypiperidin-1-yl)methyl]pyridine?
The canonical SMILES for 3,6-dichloro-2-[(4-ethoxypiperidin-1-yl)methyl]pyridine is CCOC1CCN(Cc2nc(Cl)ccc2Cl)CC1.
What is the InChIKey of 3,6-dichloro-2-[(4-ethoxypiperidin-1-yl)methyl]pyridine?
The InChIKey is DFZJROIHWIJVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-2-18-10-5-7-17(8-6-10)9-12-11(14)3-4-13(15)16-12/h3-4,10H,2,5-9H2,1H3.
What are the key properties of 3,6-dichloro-2-[(4-ethoxypiperidin-1-yl)methyl]pyridine?
3,6-dichloro-2-[(4-ethoxypiperidin-1-yl)methyl]pyridine has a molecular weight of 289.21 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-2-[(4-ethoxypiperidin-1-yl)methyl]pyridine is sourced from PubChem (CID 62892140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).