1-(3-fluoro-5-methoxyphenyl)-4-hydroxy-6-methylpiperidin-3-one

C13H16FNO3 — CID 123583979

IUPAC1-(3-fluoro-5-methoxyphenyl)-4-hydroxy-6-methylpiperidin-3-one
SMILESCOc1cc(F)cc(N2CC(=O)C(O)CC2C)c1
InChIInChI=1S/C13H16FNO3/c1-8-3-12(16)13(17)7-15(8)10-4-9(14)5-11(6-10)18-2/h4-6,8,12,16H,3,7H2,1-2H3
InChIKeyALNPERXVRDXWEH-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.36
Rot. Bonds2

About 1-(3-fluoro-5-methoxyphenyl)-4-hydroxy-6-methylpiperidin-3-one

1-(3-fluoro-5-methoxyphenyl)-4-hydroxy-6-methylpiperidin-3-one (PubChem CID 123583979) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 1-(3-fluoro-5-methoxyphenyl)-4-hydroxy-6-methylpiperidin-3-one.

Molecular Properties

Compound Name1-(3-fluoro-5-methoxyphenyl)-4-hydroxy-6-methylpiperidin-3-one
PubChem CID123583979
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name1-(3-fluoro-5-methoxyphenyl)-4-hydroxy-6-methylpiperidin-3-one
SMILESCOc1cc(F)cc(N2CC(=O)C(O)CC2C)c1
InChIInChI=1S/C13H16FNO3/c1-8-3-12(16)13(17)7-15(8)10-4-9(14)5-11(6-10)18-2/h4-6,8,12,16H,3,7H2,1-2H3
InChIKeyALNPERXVRDXWEH-UHFFFAOYSA-N
XLogP1.36
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methoxyphenyl)-4-hydroxy-6-methylpiperidin-3-one?
The IUPAC name of 1-(3-fluoro-5-methoxyphenyl)-4-hydroxy-6-methylpiperidin-3-one (CID 123583979) is 1-(3-fluoro-5-methoxyphenyl)-4-hydroxy-6-methylpiperidin-3-one.
What is the SMILES notation for 1-(3-fluoro-5-methoxyphenyl)-4-hydroxy-6-methylpiperidin-3-one?
The canonical SMILES for 1-(3-fluoro-5-methoxyphenyl)-4-hydroxy-6-methylpiperidin-3-one is COc1cc(F)cc(N2CC(=O)C(O)CC2C)c1.
What is the InChIKey of 1-(3-fluoro-5-methoxyphenyl)-4-hydroxy-6-methylpiperidin-3-one?
The InChIKey is ALNPERXVRDXWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-8-3-12(16)13(17)7-15(8)10-4-9(14)5-11(6-10)18-2/h4-6,8,12,16H,3,7H2,1-2H3.
What are the key properties of 1-(3-fluoro-5-methoxyphenyl)-4-hydroxy-6-methylpiperidin-3-one?
1-(3-fluoro-5-methoxyphenyl)-4-hydroxy-6-methylpiperidin-3-one has a molecular weight of 253.27 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methoxyphenyl)-4-hydroxy-6-methylpiperidin-3-one is sourced from PubChem (CID 123583979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).