3-chloro-2-(chloromethyl)-6-(3-propoxypiperidin-1-yl)pyridine

C14H20Cl2N2O — CID 54990291

IUPAC3-chloro-2-(chloromethyl)-6-(3-propoxypiperidin-1-yl)pyridine
SMILESCCCOC1CCCN(c2ccc(Cl)c(CCl)n2)C1
InChIInChI=1S/C14H20Cl2N2O/c1-2-8-19-11-4-3-7-18(10-11)14-6-5-12(16)13(9-15)17-14/h5-6,11H,2-4,7-10H2,1H3
InChIKeyAECYZHLHLSFVRS-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.87
Rot. Bonds5

About 3-chloro-2-(chloromethyl)-6-(3-propoxypiperidin-1-yl)pyridine

3-chloro-2-(chloromethyl)-6-(3-propoxypiperidin-1-yl)pyridine (PubChem CID 54990291) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 3-chloro-2-(chloromethyl)-6-(3-propoxypiperidin-1-yl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(chloromethyl)-6-(3-propoxypiperidin-1-yl)pyridine
PubChem CID54990291
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name3-chloro-2-(chloromethyl)-6-(3-propoxypiperidin-1-yl)pyridine
SMILESCCCOC1CCCN(c2ccc(Cl)c(CCl)n2)C1
InChIInChI=1S/C14H20Cl2N2O/c1-2-8-19-11-4-3-7-18(10-11)14-6-5-12(16)13(9-15)17-14/h5-6,11H,2-4,7-10H2,1H3
InChIKeyAECYZHLHLSFVRS-UHFFFAOYSA-N
XLogP3.87
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(chloromethyl)-6-(3-propoxypiperidin-1-yl)pyridine?
The IUPAC name of 3-chloro-2-(chloromethyl)-6-(3-propoxypiperidin-1-yl)pyridine (CID 54990291) is 3-chloro-2-(chloromethyl)-6-(3-propoxypiperidin-1-yl)pyridine.
What is the SMILES notation for 3-chloro-2-(chloromethyl)-6-(3-propoxypiperidin-1-yl)pyridine?
The canonical SMILES for 3-chloro-2-(chloromethyl)-6-(3-propoxypiperidin-1-yl)pyridine is CCCOC1CCCN(c2ccc(Cl)c(CCl)n2)C1.
What is the InChIKey of 3-chloro-2-(chloromethyl)-6-(3-propoxypiperidin-1-yl)pyridine?
The InChIKey is AECYZHLHLSFVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-2-8-19-11-4-3-7-18(10-11)14-6-5-12(16)13(9-15)17-14/h5-6,11H,2-4,7-10H2,1H3.
What are the key properties of 3-chloro-2-(chloromethyl)-6-(3-propoxypiperidin-1-yl)pyridine?
3-chloro-2-(chloromethyl)-6-(3-propoxypiperidin-1-yl)pyridine has a molecular weight of 303.23 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(chloromethyl)-6-(3-propoxypiperidin-1-yl)pyridine is sourced from PubChem (CID 54990291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).