2-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]-3-hydroxy-6-methylpyran-4-one

C15H24N2O4 — CID 71591132

IUPAC2-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]-3-hydroxy-6-methylpyran-4-one
SMILESCCOCCN1CCN(Cc2oc(C)cc(=O)c2O)CC1
InChIInChI=1S/C15H24N2O4/c1-3-20-9-8-16-4-6-17(7-5-16)11-14-15(19)13(18)10-12(2)21-14/h10,19H,3-9,11H2,1-2H3
InChIKeyYOJYYYDYRCLKHK-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.81
Rot. Bonds6

About 2-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]-3-hydroxy-6-methylpyran-4-one

2-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]-3-hydroxy-6-methylpyran-4-one (PubChem CID 71591132) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]-3-hydroxy-6-methylpyran-4-one.

Molecular Properties

Compound Name2-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]-3-hydroxy-6-methylpyran-4-one
PubChem CID71591132
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]-3-hydroxy-6-methylpyran-4-one
SMILESCCOCCN1CCN(Cc2oc(C)cc(=O)c2O)CC1
InChIInChI=1S/C15H24N2O4/c1-3-20-9-8-16-4-6-17(7-5-16)11-14-15(19)13(18)10-12(2)21-14/h10,19H,3-9,11H2,1-2H3
InChIKeyYOJYYYDYRCLKHK-UHFFFAOYSA-N
XLogP0.81
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]-3-hydroxy-6-methylpyran-4-one?
The IUPAC name of 2-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]-3-hydroxy-6-methylpyran-4-one (CID 71591132) is 2-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]-3-hydroxy-6-methylpyran-4-one.
What is the SMILES notation for 2-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]-3-hydroxy-6-methylpyran-4-one?
The canonical SMILES for 2-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]-3-hydroxy-6-methylpyran-4-one is CCOCCN1CCN(Cc2oc(C)cc(=O)c2O)CC1.
What is the InChIKey of 2-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]-3-hydroxy-6-methylpyran-4-one?
The InChIKey is YOJYYYDYRCLKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-3-20-9-8-16-4-6-17(7-5-16)11-14-15(19)13(18)10-12(2)21-14/h10,19H,3-9,11H2,1-2H3.
What are the key properties of 2-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]-3-hydroxy-6-methylpyran-4-one?
2-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]-3-hydroxy-6-methylpyran-4-one has a molecular weight of 296.37 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]-3-hydroxy-6-methylpyran-4-one is sourced from PubChem (CID 71591132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).