4-[3-fluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine

C22H27F2NO2 — CID 134488795

IUPAC4-[3-fluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine
SMILESCOc1ccc(-c2ccc(C3CC(C)(C)N(O)C(C)(C)C3)cc2F)c(F)c1
InChIInChI=1S/C22H27F2NO2/c1-21(2)12-15(13-22(3,4)25(21)26)14-6-8-17(19(23)10-14)18-9-7-16(27-5)11-20(18)24/h6-11,15,26H,12-13H2,1-5H3
InChIKeyCXRWSOJRJJELRZ-UHFFFAOYSA-N
MW375.46 g/mol
LogP5.77
Rot. Bonds3

About 4-[3-fluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine

4-[3-fluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine (PubChem CID 134488795) has the molecular formula C22H27F2NO2 and a molecular weight of 375.46 g/mol. Its IUPAC name is 4-[3-fluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name4-[3-fluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine
PubChem CID134488795
Molecular FormulaC22H27F2NO2
Molecular Weight375.46 g/mol
Exact Mass375.20
IUPAC Name4-[3-fluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine
SMILESCOc1ccc(-c2ccc(C3CC(C)(C)N(O)C(C)(C)C3)cc2F)c(F)c1
InChIInChI=1S/C22H27F2NO2/c1-21(2)12-15(13-22(3,4)25(21)26)14-6-8-17(19(23)10-14)18-9-7-16(27-5)11-20(18)24/h6-11,15,26H,12-13H2,1-5H3
InChIKeyCXRWSOJRJJELRZ-UHFFFAOYSA-N
XLogP5.77
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.46
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 4-[3-fluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine (CID 134488795) is 4-[3-fluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 4-[3-fluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 4-[3-fluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine is COc1ccc(-c2ccc(C3CC(C)(C)N(O)C(C)(C)C3)cc2F)c(F)c1.
What is the InChIKey of 4-[3-fluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The InChIKey is CXRWSOJRJJELRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F2NO2/c1-21(2)12-15(13-22(3,4)25(21)26)14-6-8-17(19(23)10-14)18-9-7-16(27-5)11-20(18)24/h6-11,15,26H,12-13H2,1-5H3.
What are the key properties of 4-[3-fluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine?
4-[3-fluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine has a molecular weight of 375.46 g/mol, XLogP of 5.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 134488795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).