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

C14H22N2O3 — CID 54923689

IUPAC5-hydroxy-2-[[piperidin-4-yl(propyl)amino]methyl]pyran-4-one
SMILESCCCN(Cc1cc(=O)c(O)co1)C1CCNCC1
InChIInChI=1S/C14H22N2O3/c1-2-7-16(11-3-5-15-6-4-11)9-12-8-13(17)14(18)10-19-12/h8,10-11,15,18H,2-7,9H2,1H3
InChIKeyIXUYSAHHCNAXEI-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.31
Rot. Bonds5

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

5-hydroxy-2-[[piperidin-4-yl(propyl)amino]methyl]pyran-4-one (PubChem CID 54923689) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-hydroxy-2-[[piperidin-4-yl(propyl)amino]methyl]pyran-4-one.

Molecular Properties

Compound Name5-hydroxy-2-[[piperidin-4-yl(propyl)amino]methyl]pyran-4-one
PubChem CID54923689
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name5-hydroxy-2-[[piperidin-4-yl(propyl)amino]methyl]pyran-4-one
SMILESCCCN(Cc1cc(=O)c(O)co1)C1CCNCC1
InChIInChI=1S/C14H22N2O3/c1-2-7-16(11-3-5-15-6-4-11)9-12-8-13(17)14(18)10-19-12/h8,10-11,15,18H,2-7,9H2,1H3
InChIKeyIXUYSAHHCNAXEI-UHFFFAOYSA-N
XLogP1.31
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.31
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-yl(propyl)amino]methyl]pyran-4-one?
The IUPAC name of 5-hydroxy-2-[[piperidin-4-yl(propyl)amino]methyl]pyran-4-one (CID 54923689) is 5-hydroxy-2-[[piperidin-4-yl(propyl)amino]methyl]pyran-4-one.
What is the SMILES notation for 5-hydroxy-2-[[piperidin-4-yl(propyl)amino]methyl]pyran-4-one?
The canonical SMILES for 5-hydroxy-2-[[piperidin-4-yl(propyl)amino]methyl]pyran-4-one is CCCN(Cc1cc(=O)c(O)co1)C1CCNCC1.
What is the InChIKey of 5-hydroxy-2-[[piperidin-4-yl(propyl)amino]methyl]pyran-4-one?
The InChIKey is IXUYSAHHCNAXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-2-7-16(11-3-5-15-6-4-11)9-12-8-13(17)14(18)10-19-12/h8,10-11,15,18H,2-7,9H2,1H3.
What are the key properties of 5-hydroxy-2-[[piperidin-4-yl(propyl)amino]methyl]pyran-4-one?
5-hydroxy-2-[[piperidin-4-yl(propyl)amino]methyl]pyran-4-one has a molecular weight of 266.34 g/mol, XLogP of 1.31, 5 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-yl(propyl)amino]methyl]pyran-4-one is sourced from PubChem (CID 54923689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).