4-hydroxy-6-piperidin-3-ylpyran-2-one

C10H13NO3 — CID 54707493

IUPAC4-hydroxy-6-piperidin-3-ylpyran-2-one
SMILESO=c1cc(O)cc(C2CCCNC2)o1
InChIInChI=1S/C10H13NO3/c12-8-4-9(14-10(13)5-8)7-2-1-3-11-6-7/h4-5,7,11-12H,1-3,6H2
InChIKeyBDCCINFDFQHWRC-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.81
Rot. Bonds1

About 4-hydroxy-6-piperidin-3-ylpyran-2-one

4-hydroxy-6-piperidin-3-ylpyran-2-one (PubChem CID 54707493) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-hydroxy-6-piperidin-3-ylpyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-piperidin-3-ylpyran-2-one
PubChem CID54707493
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name4-hydroxy-6-piperidin-3-ylpyran-2-one
SMILESO=c1cc(O)cc(C2CCCNC2)o1
InChIInChI=1S/C10H13NO3/c12-8-4-9(14-10(13)5-8)7-2-1-3-11-6-7/h4-5,7,11-12H,1-3,6H2
InChIKeyBDCCINFDFQHWRC-UHFFFAOYSA-N
XLogP0.81
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-piperidin-3-ylpyran-2-one?
The IUPAC name of 4-hydroxy-6-piperidin-3-ylpyran-2-one (CID 54707493) is 4-hydroxy-6-piperidin-3-ylpyran-2-one.
What is the SMILES notation for 4-hydroxy-6-piperidin-3-ylpyran-2-one?
The canonical SMILES for 4-hydroxy-6-piperidin-3-ylpyran-2-one is O=c1cc(O)cc(C2CCCNC2)o1.
What is the InChIKey of 4-hydroxy-6-piperidin-3-ylpyran-2-one?
The InChIKey is BDCCINFDFQHWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c12-8-4-9(14-10(13)5-8)7-2-1-3-11-6-7/h4-5,7,11-12H,1-3,6H2.
What are the key properties of 4-hydroxy-6-piperidin-3-ylpyran-2-one?
4-hydroxy-6-piperidin-3-ylpyran-2-one has a molecular weight of 195.22 g/mol, XLogP of 0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-piperidin-3-ylpyran-2-one is sourced from PubChem (CID 54707493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).