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

C15H24N2O3 — CID 79714876

IUPAC5-hydroxy-2-[[piperidin-4-ylmethyl(propyl)amino]methyl]pyran-4-one
SMILESCCCN(Cc1cc(=O)c(O)co1)CC1CCNCC1
InChIInChI=1S/C15H24N2O3/c1-2-7-17(9-12-3-5-16-6-4-12)10-13-8-14(18)15(19)11-20-13/h8,11-12,16,19H,2-7,9-10H2,1H3
InChIKeyYSXGNYMBXCJIJG-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.56
Rot. Bonds6

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

5-hydroxy-2-[[piperidin-4-ylmethyl(propyl)amino]methyl]pyran-4-one (PubChem CID 79714876) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-hydroxy-2-[[piperidin-4-ylmethyl(propyl)amino]methyl]pyran-4-one.

Molecular Properties

Compound Name5-hydroxy-2-[[piperidin-4-ylmethyl(propyl)amino]methyl]pyran-4-one
PubChem CID79714876
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name5-hydroxy-2-[[piperidin-4-ylmethyl(propyl)amino]methyl]pyran-4-one
SMILESCCCN(Cc1cc(=O)c(O)co1)CC1CCNCC1
InChIInChI=1S/C15H24N2O3/c1-2-7-17(9-12-3-5-16-6-4-12)10-13-8-14(18)15(19)11-20-13/h8,11-12,16,19H,2-7,9-10H2,1H3
InChIKeyYSXGNYMBXCJIJG-UHFFFAOYSA-N
XLogP1.56
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[[piperidin-4-ylmethyl(propyl)amino]methyl]pyran-4-one?
The IUPAC name of 5-hydroxy-2-[[piperidin-4-ylmethyl(propyl)amino]methyl]pyran-4-one (CID 79714876) is 5-hydroxy-2-[[piperidin-4-ylmethyl(propyl)amino]methyl]pyran-4-one.
What is the SMILES notation for 5-hydroxy-2-[[piperidin-4-ylmethyl(propyl)amino]methyl]pyran-4-one?
The canonical SMILES for 5-hydroxy-2-[[piperidin-4-ylmethyl(propyl)amino]methyl]pyran-4-one is CCCN(Cc1cc(=O)c(O)co1)CC1CCNCC1.
What is the InChIKey of 5-hydroxy-2-[[piperidin-4-ylmethyl(propyl)amino]methyl]pyran-4-one?
The InChIKey is YSXGNYMBXCJIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-2-7-17(9-12-3-5-16-6-4-12)10-13-8-14(18)15(19)11-20-13/h8,11-12,16,19H,2-7,9-10H2,1H3.
What are the key properties of 5-hydroxy-2-[[piperidin-4-ylmethyl(propyl)amino]methyl]pyran-4-one?
5-hydroxy-2-[[piperidin-4-ylmethyl(propyl)amino]methyl]pyran-4-one has a molecular weight of 280.37 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[[piperidin-4-ylmethyl(propyl)amino]methyl]pyran-4-one is sourced from PubChem (CID 79714876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).