2-[[ethyl(piperidin-4-yl)amino]methyl]-5-hydroxypyran-4-one

C13H20N2O3 — CID 54923446

IUPAC2-[[ethyl(piperidin-4-yl)amino]methyl]-5-hydroxypyran-4-one
SMILESCCN(Cc1cc(=O)c(O)co1)C1CCNCC1
InChIInChI=1S/C13H20N2O3/c1-2-15(10-3-5-14-6-4-10)8-11-7-12(16)13(17)9-18-11/h7,9-10,14,17H,2-6,8H2,1H3
InChIKeyMGMJQPBVGMUHED-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.92
Rot. Bonds4

About 2-[[ethyl(piperidin-4-yl)amino]methyl]-5-hydroxypyran-4-one

2-[[ethyl(piperidin-4-yl)amino]methyl]-5-hydroxypyran-4-one (PubChem CID 54923446) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[[ethyl(piperidin-4-yl)amino]methyl]-5-hydroxypyran-4-one.

Molecular Properties

Compound Name2-[[ethyl(piperidin-4-yl)amino]methyl]-5-hydroxypyran-4-one
PubChem CID54923446
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[[ethyl(piperidin-4-yl)amino]methyl]-5-hydroxypyran-4-one
SMILESCCN(Cc1cc(=O)c(O)co1)C1CCNCC1
InChIInChI=1S/C13H20N2O3/c1-2-15(10-3-5-14-6-4-10)8-11-7-12(16)13(17)9-18-11/h7,9-10,14,17H,2-6,8H2,1H3
InChIKeyMGMJQPBVGMUHED-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(piperidin-4-yl)amino]methyl]-5-hydroxypyran-4-one?
The IUPAC name of 2-[[ethyl(piperidin-4-yl)amino]methyl]-5-hydroxypyran-4-one (CID 54923446) is 2-[[ethyl(piperidin-4-yl)amino]methyl]-5-hydroxypyran-4-one.
What is the SMILES notation for 2-[[ethyl(piperidin-4-yl)amino]methyl]-5-hydroxypyran-4-one?
The canonical SMILES for 2-[[ethyl(piperidin-4-yl)amino]methyl]-5-hydroxypyran-4-one is CCN(Cc1cc(=O)c(O)co1)C1CCNCC1.
What is the InChIKey of 2-[[ethyl(piperidin-4-yl)amino]methyl]-5-hydroxypyran-4-one?
The InChIKey is MGMJQPBVGMUHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-2-15(10-3-5-14-6-4-10)8-11-7-12(16)13(17)9-18-11/h7,9-10,14,17H,2-6,8H2,1H3.
What are the key properties of 2-[[ethyl(piperidin-4-yl)amino]methyl]-5-hydroxypyran-4-one?
2-[[ethyl(piperidin-4-yl)amino]methyl]-5-hydroxypyran-4-one has a molecular weight of 252.31 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(piperidin-4-yl)amino]methyl]-5-hydroxypyran-4-one is sourced from PubChem (CID 54923446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).