2-ethoxy-3-(4-piperidin-4-ylphenyl)pyridine

C18H22N2O — CID 175802766

IUPAC2-ethoxy-3-(4-piperidin-4-ylphenyl)pyridine
SMILESCCOc1ncccc1-c1ccc(C2CCNCC2)cc1
InChIInChI=1S/C18H22N2O/c1-2-21-18-17(4-3-11-20-18)16-7-5-14(6-8-16)15-9-12-19-13-10-15/h3-8,11,15,19H,2,9-10,12-13H2,1H3
InChIKeyTXGPOEZVFFZSJZ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.61
Rot. Bonds4

About 2-ethoxy-3-(4-piperidin-4-ylphenyl)pyridine

2-ethoxy-3-(4-piperidin-4-ylphenyl)pyridine (PubChem CID 175802766) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-ethoxy-3-(4-piperidin-4-ylphenyl)pyridine.

Molecular Properties

Compound Name2-ethoxy-3-(4-piperidin-4-ylphenyl)pyridine
PubChem CID175802766
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-ethoxy-3-(4-piperidin-4-ylphenyl)pyridine
SMILESCCOc1ncccc1-c1ccc(C2CCNCC2)cc1
InChIInChI=1S/C18H22N2O/c1-2-21-18-17(4-3-11-20-18)16-7-5-14(6-8-16)15-9-12-19-13-10-15/h3-8,11,15,19H,2,9-10,12-13H2,1H3
InChIKeyTXGPOEZVFFZSJZ-UHFFFAOYSA-N
XLogP3.61
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(4-piperidin-4-ylphenyl)pyridine?
The IUPAC name of 2-ethoxy-3-(4-piperidin-4-ylphenyl)pyridine (CID 175802766) is 2-ethoxy-3-(4-piperidin-4-ylphenyl)pyridine.
What is the SMILES notation for 2-ethoxy-3-(4-piperidin-4-ylphenyl)pyridine?
The canonical SMILES for 2-ethoxy-3-(4-piperidin-4-ylphenyl)pyridine is CCOc1ncccc1-c1ccc(C2CCNCC2)cc1.
What is the InChIKey of 2-ethoxy-3-(4-piperidin-4-ylphenyl)pyridine?
The InChIKey is TXGPOEZVFFZSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-21-18-17(4-3-11-20-18)16-7-5-14(6-8-16)15-9-12-19-13-10-15/h3-8,11,15,19H,2,9-10,12-13H2,1H3.
What are the key properties of 2-ethoxy-3-(4-piperidin-4-ylphenyl)pyridine?
2-ethoxy-3-(4-piperidin-4-ylphenyl)pyridine has a molecular weight of 282.39 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(4-piperidin-4-ylphenyl)pyridine is sourced from PubChem (CID 175802766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).