1-[5-(4-hydroxy-4-methylpiperidin-1-yl)furan-2-yl]ethanone

C12H17NO3 — CID 104651822

IUPAC1-[5-(4-hydroxy-4-methylpiperidin-1-yl)furan-2-yl]ethanone
SMILESCC(=O)c1ccc(N2CCC(C)(O)CC2)o1
InChIInChI=1S/C12H17NO3/c1-9(14)10-3-4-11(16-10)13-7-5-12(2,15)6-8-13/h3-4,15H,5-8H2,1-2H3
InChIKeyUMKWORSTBCLHSC-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.83
Rot. Bonds2

About 1-[5-(4-hydroxy-4-methylpiperidin-1-yl)furan-2-yl]ethanone

1-[5-(4-hydroxy-4-methylpiperidin-1-yl)furan-2-yl]ethanone (PubChem CID 104651822) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 1-[5-(4-hydroxy-4-methylpiperidin-1-yl)furan-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(4-hydroxy-4-methylpiperidin-1-yl)furan-2-yl]ethanone
PubChem CID104651822
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name1-[5-(4-hydroxy-4-methylpiperidin-1-yl)furan-2-yl]ethanone
SMILESCC(=O)c1ccc(N2CCC(C)(O)CC2)o1
InChIInChI=1S/C12H17NO3/c1-9(14)10-3-4-11(16-10)13-7-5-12(2,15)6-8-13/h3-4,15H,5-8H2,1-2H3
InChIKeyUMKWORSTBCLHSC-UHFFFAOYSA-N
XLogP1.83
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-hydroxy-4-methylpiperidin-1-yl)furan-2-yl]ethanone?
The IUPAC name of 1-[5-(4-hydroxy-4-methylpiperidin-1-yl)furan-2-yl]ethanone (CID 104651822) is 1-[5-(4-hydroxy-4-methylpiperidin-1-yl)furan-2-yl]ethanone.
What is the SMILES notation for 1-[5-(4-hydroxy-4-methylpiperidin-1-yl)furan-2-yl]ethanone?
The canonical SMILES for 1-[5-(4-hydroxy-4-methylpiperidin-1-yl)furan-2-yl]ethanone is CC(=O)c1ccc(N2CCC(C)(O)CC2)o1.
What is the InChIKey of 1-[5-(4-hydroxy-4-methylpiperidin-1-yl)furan-2-yl]ethanone?
The InChIKey is UMKWORSTBCLHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9(14)10-3-4-11(16-10)13-7-5-12(2,15)6-8-13/h3-4,15H,5-8H2,1-2H3.
What are the key properties of 1-[5-(4-hydroxy-4-methylpiperidin-1-yl)furan-2-yl]ethanone?
1-[5-(4-hydroxy-4-methylpiperidin-1-yl)furan-2-yl]ethanone has a molecular weight of 223.27 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-hydroxy-4-methylpiperidin-1-yl)furan-2-yl]ethanone is sourced from PubChem (CID 104651822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).