3-(piperidin-2-ylmethoxy)pyran-4-one

C11H15NO3 — CID 84676765

IUPAC3-(piperidin-2-ylmethoxy)pyran-4-one
SMILESO=c1ccocc1OCC1CCCCN1
InChIInChI=1S/C11H15NO3/c13-10-4-6-14-8-11(10)15-7-9-3-1-2-5-12-9/h4,6,8-9,12H,1-3,5,7H2
InChIKeyIXLHXBCWIJTDQU-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.16
Rot. Bonds3

About 3-(piperidin-2-ylmethoxy)pyran-4-one

3-(piperidin-2-ylmethoxy)pyran-4-one (PubChem CID 84676765) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 3-(piperidin-2-ylmethoxy)pyran-4-one.

Molecular Properties

Compound Name3-(piperidin-2-ylmethoxy)pyran-4-one
PubChem CID84676765
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name3-(piperidin-2-ylmethoxy)pyran-4-one
SMILESO=c1ccocc1OCC1CCCCN1
InChIInChI=1S/C11H15NO3/c13-10-4-6-14-8-11(10)15-7-9-3-1-2-5-12-9/h4,6,8-9,12H,1-3,5,7H2
InChIKeyIXLHXBCWIJTDQU-UHFFFAOYSA-N
XLogP1.16
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-2-ylmethoxy)pyran-4-one?
The IUPAC name of 3-(piperidin-2-ylmethoxy)pyran-4-one (CID 84676765) is 3-(piperidin-2-ylmethoxy)pyran-4-one.
What is the SMILES notation for 3-(piperidin-2-ylmethoxy)pyran-4-one?
The canonical SMILES for 3-(piperidin-2-ylmethoxy)pyran-4-one is O=c1ccocc1OCC1CCCCN1.
What is the InChIKey of 3-(piperidin-2-ylmethoxy)pyran-4-one?
The InChIKey is IXLHXBCWIJTDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c13-10-4-6-14-8-11(10)15-7-9-3-1-2-5-12-9/h4,6,8-9,12H,1-3,5,7H2.
What are the key properties of 3-(piperidin-2-ylmethoxy)pyran-4-one?
3-(piperidin-2-ylmethoxy)pyran-4-one has a molecular weight of 209.24 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-2-ylmethoxy)pyran-4-one is sourced from PubChem (CID 84676765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).