3-hydroxy-6-methyl-2-[(4-propylpiperidin-1-yl)methyl]pyran-4-one

C15H23NO3 — CID 71591033

IUPAC3-hydroxy-6-methyl-2-[(4-propylpiperidin-1-yl)methyl]pyran-4-one
SMILESCCCC1CCN(Cc2oc(C)cc(=O)c2O)CC1
InChIInChI=1S/C15H23NO3/c1-3-4-12-5-7-16(8-6-12)10-14-15(18)13(17)9-11(2)19-14/h9,12,18H,3-8,10H2,1-2H3
InChIKeyZYHUMROYBCXZOK-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.67
Rot. Bonds4

About 3-hydroxy-6-methyl-2-[(4-propylpiperidin-1-yl)methyl]pyran-4-one

3-hydroxy-6-methyl-2-[(4-propylpiperidin-1-yl)methyl]pyran-4-one (PubChem CID 71591033) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-hydroxy-6-methyl-2-[(4-propylpiperidin-1-yl)methyl]pyran-4-one.

Molecular Properties

Compound Name3-hydroxy-6-methyl-2-[(4-propylpiperidin-1-yl)methyl]pyran-4-one
PubChem CID71591033
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-hydroxy-6-methyl-2-[(4-propylpiperidin-1-yl)methyl]pyran-4-one
SMILESCCCC1CCN(Cc2oc(C)cc(=O)c2O)CC1
InChIInChI=1S/C15H23NO3/c1-3-4-12-5-7-16(8-6-12)10-14-15(18)13(17)9-11(2)19-14/h9,12,18H,3-8,10H2,1-2H3
InChIKeyZYHUMROYBCXZOK-UHFFFAOYSA-N
XLogP2.67
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-methyl-2-[(4-propylpiperidin-1-yl)methyl]pyran-4-one?
The IUPAC name of 3-hydroxy-6-methyl-2-[(4-propylpiperidin-1-yl)methyl]pyran-4-one (CID 71591033) is 3-hydroxy-6-methyl-2-[(4-propylpiperidin-1-yl)methyl]pyran-4-one.
What is the SMILES notation for 3-hydroxy-6-methyl-2-[(4-propylpiperidin-1-yl)methyl]pyran-4-one?
The canonical SMILES for 3-hydroxy-6-methyl-2-[(4-propylpiperidin-1-yl)methyl]pyran-4-one is CCCC1CCN(Cc2oc(C)cc(=O)c2O)CC1.
What is the InChIKey of 3-hydroxy-6-methyl-2-[(4-propylpiperidin-1-yl)methyl]pyran-4-one?
The InChIKey is ZYHUMROYBCXZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-4-12-5-7-16(8-6-12)10-14-15(18)13(17)9-11(2)19-14/h9,12,18H,3-8,10H2,1-2H3.
What are the key properties of 3-hydroxy-6-methyl-2-[(4-propylpiperidin-1-yl)methyl]pyran-4-one?
3-hydroxy-6-methyl-2-[(4-propylpiperidin-1-yl)methyl]pyran-4-one has a molecular weight of 265.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-methyl-2-[(4-propylpiperidin-1-yl)methyl]pyran-4-one is sourced from PubChem (CID 71591033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).