3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyran-4-one

C12H17NO3 — CID 56723680

IUPAC3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyran-4-one
SMILESCc1cc(=O)c(O)c(CN2CCCCC2)o1
InChIInChI=1S/C12H17NO3/c1-9-7-10(14)12(15)11(16-9)8-13-5-3-2-4-6-13/h7,15H,2-6,8H2,1H3
InChIKeyCUBQYAUDOIVNDG-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.64
Rot. Bonds2

About 3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyran-4-one

3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyran-4-one (PubChem CID 56723680) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyran-4-one.

Molecular Properties

Compound Name3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyran-4-one
PubChem CID56723680
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyran-4-one
SMILESCc1cc(=O)c(O)c(CN2CCCCC2)o1
InChIInChI=1S/C12H17NO3/c1-9-7-10(14)12(15)11(16-9)8-13-5-3-2-4-6-13/h7,15H,2-6,8H2,1H3
InChIKeyCUBQYAUDOIVNDG-UHFFFAOYSA-N
XLogP1.64
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyran-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyran-4-one?
The IUPAC name of 3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyran-4-one (CID 56723680) is 3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyran-4-one.
What is the SMILES notation for 3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyran-4-one?
The canonical SMILES for 3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyran-4-one is Cc1cc(=O)c(O)c(CN2CCCCC2)o1.
What is the InChIKey of 3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyran-4-one?
The InChIKey is CUBQYAUDOIVNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9-7-10(14)12(15)11(16-9)8-13-5-3-2-4-6-13/h7,15H,2-6,8H2,1H3.
What are the key properties of 3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyran-4-one?
3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyran-4-one has a molecular weight of 223.27 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-methyl-2-(piperidin-1-ylmethyl)pyran-4-one is sourced from PubChem (CID 56723680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).