2-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one

C15H23NO3 — CID 71591032

IUPAC2-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one
SMILESCCC1CCC(C)N(Cc2oc(C)cc(=O)c2O)C1
InChIInChI=1S/C15H23NO3/c1-4-12-6-5-10(2)16(8-12)9-14-15(18)13(17)7-11(3)19-14/h7,10,12,18H,4-6,8-9H2,1-3H3
InChIKeyLBSVOLVCTFROHL-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.66
Rot. Bonds3

About 2-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one

2-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one (PubChem CID 71591032) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one.

Molecular Properties

Compound Name2-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one
PubChem CID71591032
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one
SMILESCCC1CCC(C)N(Cc2oc(C)cc(=O)c2O)C1
InChIInChI=1S/C15H23NO3/c1-4-12-6-5-10(2)16(8-12)9-14-15(18)13(17)7-11(3)19-14/h7,10,12,18H,4-6,8-9H2,1-3H3
InChIKeyLBSVOLVCTFROHL-UHFFFAOYSA-N
XLogP2.66
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one?
The IUPAC name of 2-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one (CID 71591032) is 2-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one.
What is the SMILES notation for 2-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one?
The canonical SMILES for 2-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one is CCC1CCC(C)N(Cc2oc(C)cc(=O)c2O)C1.
What is the InChIKey of 2-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one?
The InChIKey is LBSVOLVCTFROHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-12-6-5-10(2)16(8-12)9-14-15(18)13(17)7-11(3)19-14/h7,10,12,18H,4-6,8-9H2,1-3H3.
What are the key properties of 2-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one?
2-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one has a molecular weight of 265.35 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-3-hydroxy-6-methylpyran-4-one is sourced from PubChem (CID 71591032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).