2-(2-methylphenoxy)-3-piperidin-4-ylpyridine

C17H20N2O — CID 46230706

IUPAC2-(2-methylphenoxy)-3-piperidin-4-ylpyridine
SMILESCc1ccccc1Oc1ncccc1C1CCNCC1
InChIInChI=1S/C17H20N2O/c1-13-5-2-3-7-16(13)20-17-15(6-4-10-19-17)14-8-11-18-12-9-14/h2-7,10,14,18H,8-9,11-12H2,1H3
InChIKeyBLKKGRNFYMEBJN-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.65
Rot. Bonds3

About 2-(2-methylphenoxy)-3-piperidin-4-ylpyridine

2-(2-methylphenoxy)-3-piperidin-4-ylpyridine (PubChem CID 46230706) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-3-piperidin-4-ylpyridine.

Molecular Properties

Compound Name2-(2-methylphenoxy)-3-piperidin-4-ylpyridine
PubChem CID46230706
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-(2-methylphenoxy)-3-piperidin-4-ylpyridine
SMILESCc1ccccc1Oc1ncccc1C1CCNCC1
InChIInChI=1S/C17H20N2O/c1-13-5-2-3-7-16(13)20-17-15(6-4-10-19-17)14-8-11-18-12-9-14/h2-7,10,14,18H,8-9,11-12H2,1H3
InChIKeyBLKKGRNFYMEBJN-UHFFFAOYSA-N
XLogP3.65
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-3-piperidin-4-ylpyridine?
The IUPAC name of 2-(2-methylphenoxy)-3-piperidin-4-ylpyridine (CID 46230706) is 2-(2-methylphenoxy)-3-piperidin-4-ylpyridine.
What is the SMILES notation for 2-(2-methylphenoxy)-3-piperidin-4-ylpyridine?
The canonical SMILES for 2-(2-methylphenoxy)-3-piperidin-4-ylpyridine is Cc1ccccc1Oc1ncccc1C1CCNCC1.
What is the InChIKey of 2-(2-methylphenoxy)-3-piperidin-4-ylpyridine?
The InChIKey is BLKKGRNFYMEBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13-5-2-3-7-16(13)20-17-15(6-4-10-19-17)14-8-11-18-12-9-14/h2-7,10,14,18H,8-9,11-12H2,1H3.
What are the key properties of 2-(2-methylphenoxy)-3-piperidin-4-ylpyridine?
2-(2-methylphenoxy)-3-piperidin-4-ylpyridine has a molecular weight of 268.36 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-3-piperidin-4-ylpyridine is sourced from PubChem (CID 46230706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).