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

C12H17NO3 — CID 84688339

IUPAC2-methyl-3-(piperidin-2-ylmethoxy)pyran-4-one
SMILESCc1occc(=O)c1OCC1CCCCN1
InChIInChI=1S/C12H17NO3/c1-9-12(11(14)5-7-15-9)16-8-10-4-2-3-6-13-10/h5,7,10,13H,2-4,6,8H2,1H3
InChIKeyASZCMRFRPDUIDV-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.47
Rot. Bonds3

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

2-methyl-3-(piperidin-2-ylmethoxy)pyran-4-one (PubChem CID 84688339) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-methyl-3-(piperidin-2-ylmethoxy)pyran-4-one.

Molecular Properties

Compound Name2-methyl-3-(piperidin-2-ylmethoxy)pyran-4-one
PubChem CID84688339
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-methyl-3-(piperidin-2-ylmethoxy)pyran-4-one
SMILESCc1occc(=O)c1OCC1CCCCN1
InChIInChI=1S/C12H17NO3/c1-9-12(11(14)5-7-15-9)16-8-10-4-2-3-6-13-10/h5,7,10,13H,2-4,6,8H2,1H3
InChIKeyASZCMRFRPDUIDV-UHFFFAOYSA-N
XLogP1.47
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(piperidin-2-ylmethoxy)pyran-4-one?
The IUPAC name of 2-methyl-3-(piperidin-2-ylmethoxy)pyran-4-one (CID 84688339) is 2-methyl-3-(piperidin-2-ylmethoxy)pyran-4-one.
What is the SMILES notation for 2-methyl-3-(piperidin-2-ylmethoxy)pyran-4-one?
The canonical SMILES for 2-methyl-3-(piperidin-2-ylmethoxy)pyran-4-one is Cc1occc(=O)c1OCC1CCCCN1.
What is the InChIKey of 2-methyl-3-(piperidin-2-ylmethoxy)pyran-4-one?
The InChIKey is ASZCMRFRPDUIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9-12(11(14)5-7-15-9)16-8-10-4-2-3-6-13-10/h5,7,10,13H,2-4,6,8H2,1H3.
What are the key properties of 2-methyl-3-(piperidin-2-ylmethoxy)pyran-4-one?
2-methyl-3-(piperidin-2-ylmethoxy)pyran-4-one has a molecular weight of 223.27 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(piperidin-2-ylmethoxy)pyran-4-one is sourced from PubChem (CID 84688339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).