(2-fluoro-6-hydroxyphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone

C15H20FNO2 — CID 103274732

IUPAC(2-fluoro-6-hydroxyphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)C(C)N(C(=O)c2c(O)cccc2F)C1
InChIInChI=1S/C15H20FNO2/c1-9-7-10(2)11(3)17(8-9)15(19)14-12(16)5-4-6-13(14)18/h4-6,9-11,18H,7-8H2,1-3H3
InChIKeyPGBJOWCEQQAWQR-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.04
Rot. Bonds1

About (2-fluoro-6-hydroxyphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone

(2-fluoro-6-hydroxyphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone (PubChem CID 103274732) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is (2-fluoro-6-hydroxyphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-6-hydroxyphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
PubChem CID103274732
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name(2-fluoro-6-hydroxyphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)C(C)N(C(=O)c2c(O)cccc2F)C1
InChIInChI=1S/C15H20FNO2/c1-9-7-10(2)11(3)17(8-9)15(19)14-12(16)5-4-6-13(14)18/h4-6,9-11,18H,7-8H2,1-3H3
InChIKeyPGBJOWCEQQAWQR-UHFFFAOYSA-N
XLogP3.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-6-hydroxyphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
The IUPAC name of (2-fluoro-6-hydroxyphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone (CID 103274732) is (2-fluoro-6-hydroxyphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-fluoro-6-hydroxyphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
The canonical SMILES for (2-fluoro-6-hydroxyphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone is CC1CC(C)C(C)N(C(=O)c2c(O)cccc2F)C1.
What is the InChIKey of (2-fluoro-6-hydroxyphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
The InChIKey is PGBJOWCEQQAWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-9-7-10(2)11(3)17(8-9)15(19)14-12(16)5-4-6-13(14)18/h4-6,9-11,18H,7-8H2,1-3H3.
What are the key properties of (2-fluoro-6-hydroxyphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
(2-fluoro-6-hydroxyphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone has a molecular weight of 265.33 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-6-hydroxyphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 103274732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).