3-chloro-2-[4-(2-methoxyethoxy)piperidin-1-yl]pyridine

C13H19ClN2O2 — CID 75515554

IUPAC3-chloro-2-[4-(2-methoxyethoxy)piperidin-1-yl]pyridine
SMILESCOCCOC1CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C13H19ClN2O2/c1-17-9-10-18-11-4-7-16(8-5-11)13-12(14)3-2-6-15-13/h2-3,6,11H,4-5,7-10H2,1H3
InChIKeyDRKFZQLINLDOBV-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.37
Rot. Bonds5

About 3-chloro-2-[4-(2-methoxyethoxy)piperidin-1-yl]pyridine

3-chloro-2-[4-(2-methoxyethoxy)piperidin-1-yl]pyridine (PubChem CID 75515554) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 3-chloro-2-[4-(2-methoxyethoxy)piperidin-1-yl]pyridine.

Molecular Properties

Compound Name3-chloro-2-[4-(2-methoxyethoxy)piperidin-1-yl]pyridine
PubChem CID75515554
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name3-chloro-2-[4-(2-methoxyethoxy)piperidin-1-yl]pyridine
SMILESCOCCOC1CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C13H19ClN2O2/c1-17-9-10-18-11-4-7-16(8-5-11)13-12(14)3-2-6-15-13/h2-3,6,11H,4-5,7-10H2,1H3
InChIKeyDRKFZQLINLDOBV-UHFFFAOYSA-N
XLogP2.37
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-chloro-2-[4-(2-methoxyethoxy)piperidin-1-yl]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-chloro-2-[4-(2-methoxyethoxy)piperidin-1-yl]pyridine?
The IUPAC name of 3-chloro-2-[4-(2-methoxyethoxy)piperidin-1-yl]pyridine (CID 75515554) is 3-chloro-2-[4-(2-methoxyethoxy)piperidin-1-yl]pyridine.
What is the SMILES notation for 3-chloro-2-[4-(2-methoxyethoxy)piperidin-1-yl]pyridine?
The canonical SMILES for 3-chloro-2-[4-(2-methoxyethoxy)piperidin-1-yl]pyridine is COCCOC1CCN(c2ncccc2Cl)CC1.
What is the InChIKey of 3-chloro-2-[4-(2-methoxyethoxy)piperidin-1-yl]pyridine?
The InChIKey is DRKFZQLINLDOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-17-9-10-18-11-4-7-16(8-5-11)13-12(14)3-2-6-15-13/h2-3,6,11H,4-5,7-10H2,1H3.
What are the key properties of 3-chloro-2-[4-(2-methoxyethoxy)piperidin-1-yl]pyridine?
3-chloro-2-[4-(2-methoxyethoxy)piperidin-1-yl]pyridine has a molecular weight of 270.76 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[4-(2-methoxyethoxy)piperidin-1-yl]pyridine is sourced from PubChem (CID 75515554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).