4-[[2-(piperidin-1-ylmethyl)phenoxy]methyl]pyridine

C18H22N2O — CID 167786530

IUPAC4-[[2-(piperidin-1-ylmethyl)phenoxy]methyl]pyridine
SMILESc1ccc(OCc2ccncc2)c(CN2CCCCC2)c1
InChIInChI=1S/C18H22N2O/c1-4-12-20(13-5-1)14-17-6-2-3-7-18(17)21-15-16-8-10-19-11-9-16/h2-3,6-11H,1,4-5,12-15H2
InChIKeyBXHKWTHWJLOMNV-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.65
Rot. Bonds5

About 4-[[2-(piperidin-1-ylmethyl)phenoxy]methyl]pyridine

4-[[2-(piperidin-1-ylmethyl)phenoxy]methyl]pyridine (PubChem CID 167786530) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-[[2-(piperidin-1-ylmethyl)phenoxy]methyl]pyridine.

Molecular Properties

Compound Name4-[[2-(piperidin-1-ylmethyl)phenoxy]methyl]pyridine
PubChem CID167786530
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name4-[[2-(piperidin-1-ylmethyl)phenoxy]methyl]pyridine
SMILESc1ccc(OCc2ccncc2)c(CN2CCCCC2)c1
InChIInChI=1S/C18H22N2O/c1-4-12-20(13-5-1)14-17-6-2-3-7-18(17)21-15-16-8-10-19-11-9-16/h2-3,6-11H,1,4-5,12-15H2
InChIKeyBXHKWTHWJLOMNV-UHFFFAOYSA-N
XLogP3.65
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(piperidin-1-ylmethyl)phenoxy]methyl]pyridine?
The IUPAC name of 4-[[2-(piperidin-1-ylmethyl)phenoxy]methyl]pyridine (CID 167786530) is 4-[[2-(piperidin-1-ylmethyl)phenoxy]methyl]pyridine.
What is the SMILES notation for 4-[[2-(piperidin-1-ylmethyl)phenoxy]methyl]pyridine?
The canonical SMILES for 4-[[2-(piperidin-1-ylmethyl)phenoxy]methyl]pyridine is c1ccc(OCc2ccncc2)c(CN2CCCCC2)c1.
What is the InChIKey of 4-[[2-(piperidin-1-ylmethyl)phenoxy]methyl]pyridine?
The InChIKey is BXHKWTHWJLOMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-4-12-20(13-5-1)14-17-6-2-3-7-18(17)21-15-16-8-10-19-11-9-16/h2-3,6-11H,1,4-5,12-15H2.
What are the key properties of 4-[[2-(piperidin-1-ylmethyl)phenoxy]methyl]pyridine?
4-[[2-(piperidin-1-ylmethyl)phenoxy]methyl]pyridine has a molecular weight of 282.39 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(piperidin-1-ylmethyl)phenoxy]methyl]pyridine is sourced from PubChem (CID 167786530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).