5-hydroxy-2-[[methyl(piperidin-4-ylmethyl)amino]methyl]pyran-4-one

C13H20N2O3 — CID 79717191

IUPAC5-hydroxy-2-[[methyl(piperidin-4-ylmethyl)amino]methyl]pyran-4-one
SMILESCN(Cc1cc(=O)c(O)co1)CC1CCNCC1
InChIInChI=1S/C13H20N2O3/c1-15(7-10-2-4-14-5-3-10)8-11-6-12(16)13(17)9-18-11/h6,9-10,14,17H,2-5,7-8H2,1H3
InChIKeyUUPWLYNKRNDZSR-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.78
Rot. Bonds4

About 5-hydroxy-2-[[methyl(piperidin-4-ylmethyl)amino]methyl]pyran-4-one

5-hydroxy-2-[[methyl(piperidin-4-ylmethyl)amino]methyl]pyran-4-one (PubChem CID 79717191) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 5-hydroxy-2-[[methyl(piperidin-4-ylmethyl)amino]methyl]pyran-4-one.

Molecular Properties

Compound Name5-hydroxy-2-[[methyl(piperidin-4-ylmethyl)amino]methyl]pyran-4-one
PubChem CID79717191
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name5-hydroxy-2-[[methyl(piperidin-4-ylmethyl)amino]methyl]pyran-4-one
SMILESCN(Cc1cc(=O)c(O)co1)CC1CCNCC1
InChIInChI=1S/C13H20N2O3/c1-15(7-10-2-4-14-5-3-10)8-11-6-12(16)13(17)9-18-11/h6,9-10,14,17H,2-5,7-8H2,1H3
InChIKeyUUPWLYNKRNDZSR-UHFFFAOYSA-N
XLogP0.78
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[[methyl(piperidin-4-ylmethyl)amino]methyl]pyran-4-one?
The IUPAC name of 5-hydroxy-2-[[methyl(piperidin-4-ylmethyl)amino]methyl]pyran-4-one (CID 79717191) is 5-hydroxy-2-[[methyl(piperidin-4-ylmethyl)amino]methyl]pyran-4-one.
What is the SMILES notation for 5-hydroxy-2-[[methyl(piperidin-4-ylmethyl)amino]methyl]pyran-4-one?
The canonical SMILES for 5-hydroxy-2-[[methyl(piperidin-4-ylmethyl)amino]methyl]pyran-4-one is CN(Cc1cc(=O)c(O)co1)CC1CCNCC1.
What is the InChIKey of 5-hydroxy-2-[[methyl(piperidin-4-ylmethyl)amino]methyl]pyran-4-one?
The InChIKey is UUPWLYNKRNDZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-15(7-10-2-4-14-5-3-10)8-11-6-12(16)13(17)9-18-11/h6,9-10,14,17H,2-5,7-8H2,1H3.
What are the key properties of 5-hydroxy-2-[[methyl(piperidin-4-ylmethyl)amino]methyl]pyran-4-one?
5-hydroxy-2-[[methyl(piperidin-4-ylmethyl)amino]methyl]pyran-4-one has a molecular weight of 252.31 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[[methyl(piperidin-4-ylmethyl)amino]methyl]pyran-4-one is sourced from PubChem (CID 79717191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).