3,5-dichloro-2-(2-piperidin-2-ylethoxy)pyridine

C12H16Cl2N2O — CID 57061640

IUPAC3,5-dichloro-2-(2-piperidin-2-ylethoxy)pyridine
SMILESClc1cnc(OCCC2CCCCN2)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O/c13-9-7-11(14)12(16-8-9)17-6-4-10-3-1-2-5-15-10/h7-8,10,15H,1-6H2
InChIKeyCYADITBPTAOPGO-UHFFFAOYSA-N
MW275.18 g/mol
LogP3.30
Rot. Bonds4

About 3,5-dichloro-2-(2-piperidin-2-ylethoxy)pyridine

3,5-dichloro-2-(2-piperidin-2-ylethoxy)pyridine (PubChem CID 57061640) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is 3,5-dichloro-2-(2-piperidin-2-ylethoxy)pyridine.

Molecular Properties

Compound Name3,5-dichloro-2-(2-piperidin-2-ylethoxy)pyridine
PubChem CID57061640
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name3,5-dichloro-2-(2-piperidin-2-ylethoxy)pyridine
SMILESClc1cnc(OCCC2CCCCN2)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O/c13-9-7-11(14)12(16-8-9)17-6-4-10-3-1-2-5-15-10/h7-8,10,15H,1-6H2
InChIKeyCYADITBPTAOPGO-UHFFFAOYSA-N
XLogP3.30
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-(2-piperidin-2-ylethoxy)pyridine?
The IUPAC name of 3,5-dichloro-2-(2-piperidin-2-ylethoxy)pyridine (CID 57061640) is 3,5-dichloro-2-(2-piperidin-2-ylethoxy)pyridine.
What is the SMILES notation for 3,5-dichloro-2-(2-piperidin-2-ylethoxy)pyridine?
The canonical SMILES for 3,5-dichloro-2-(2-piperidin-2-ylethoxy)pyridine is Clc1cnc(OCCC2CCCCN2)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-2-(2-piperidin-2-ylethoxy)pyridine?
The InChIKey is CYADITBPTAOPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c13-9-7-11(14)12(16-8-9)17-6-4-10-3-1-2-5-15-10/h7-8,10,15H,1-6H2.
What are the key properties of 3,5-dichloro-2-(2-piperidin-2-ylethoxy)pyridine?
3,5-dichloro-2-(2-piperidin-2-ylethoxy)pyridine has a molecular weight of 275.18 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-(2-piperidin-2-ylethoxy)pyridine is sourced from PubChem (CID 57061640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).