5-hydroxy-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]pyran-4-one

C13H19NO4 — CID 55064619

IUPAC5-hydroxy-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]pyran-4-one
SMILESO=c1cc(CN2CCCC(CCO)C2)occ1O
InChIInChI=1S/C13H19NO4/c15-5-3-10-2-1-4-14(7-10)8-11-6-12(16)13(17)9-18-11/h6,9-10,15,17H,1-5,7-8H2
InChIKeyLPDBKOZDQSWBGA-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.94
Rot. Bonds4

About 5-hydroxy-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]pyran-4-one

5-hydroxy-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]pyran-4-one (PubChem CID 55064619) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 5-hydroxy-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]pyran-4-one.

Molecular Properties

Compound Name5-hydroxy-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]pyran-4-one
PubChem CID55064619
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name5-hydroxy-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]pyran-4-one
SMILESO=c1cc(CN2CCCC(CCO)C2)occ1O
InChIInChI=1S/C13H19NO4/c15-5-3-10-2-1-4-14(7-10)8-11-6-12(16)13(17)9-18-11/h6,9-10,15,17H,1-5,7-8H2
InChIKeyLPDBKOZDQSWBGA-UHFFFAOYSA-N
XLogP0.94
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]pyran-4-one?
The IUPAC name of 5-hydroxy-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]pyran-4-one (CID 55064619) is 5-hydroxy-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]pyran-4-one.
What is the SMILES notation for 5-hydroxy-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]pyran-4-one?
The canonical SMILES for 5-hydroxy-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]pyran-4-one is O=c1cc(CN2CCCC(CCO)C2)occ1O.
What is the InChIKey of 5-hydroxy-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]pyran-4-one?
The InChIKey is LPDBKOZDQSWBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c15-5-3-10-2-1-4-14(7-10)8-11-6-12(16)13(17)9-18-11/h6,9-10,15,17H,1-5,7-8H2.
What are the key properties of 5-hydroxy-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]pyran-4-one?
5-hydroxy-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]pyran-4-one has a molecular weight of 253.30 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]pyran-4-one is sourced from PubChem (CID 55064619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).