1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-4-methylpiperidin-3-ol

C13H15F4NO3S — CID 133446523

IUPAC1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-4-methylpiperidin-3-ol
SMILESCC1CCN(c2ccc(F)cc2S(=O)(=O)C(F)(F)F)CC1O
InChIInChI=1S/C13H15F4NO3S/c1-8-4-5-18(7-11(8)19)10-3-2-9(14)6-12(10)22(20,21)13(15,16)17/h2-3,6,8,11,19H,4-5,7H2,1H3
InChIKeyHAODVILVADCZIX-UHFFFAOYSA-N
MW341.33 g/mol
LogP2.33
Rot. Bonds2

About 1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-4-methylpiperidin-3-ol

1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-4-methylpiperidin-3-ol (PubChem CID 133446523) has the molecular formula C13H15F4NO3S and a molecular weight of 341.33 g/mol. Its IUPAC name is 1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-4-methylpiperidin-3-ol
PubChem CID133446523
Molecular FormulaC13H15F4NO3S
Molecular Weight341.33 g/mol
Exact Mass341.07
IUPAC Name1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-4-methylpiperidin-3-ol
SMILESCC1CCN(c2ccc(F)cc2S(=O)(=O)C(F)(F)F)CC1O
InChIInChI=1S/C13H15F4NO3S/c1-8-4-5-18(7-11(8)19)10-3-2-9(14)6-12(10)22(20,21)13(15,16)17/h2-3,6,8,11,19H,4-5,7H2,1H3
InChIKeyHAODVILVADCZIX-UHFFFAOYSA-N
XLogP2.33
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-4-methylpiperidin-3-ol?
The IUPAC name of 1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-4-methylpiperidin-3-ol (CID 133446523) is 1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-4-methylpiperidin-3-ol is CC1CCN(c2ccc(F)cc2S(=O)(=O)C(F)(F)F)CC1O.
What is the InChIKey of 1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-4-methylpiperidin-3-ol?
The InChIKey is HAODVILVADCZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4NO3S/c1-8-4-5-18(7-11(8)19)10-3-2-9(14)6-12(10)22(20,21)13(15,16)17/h2-3,6,8,11,19H,4-5,7H2,1H3.
What are the key properties of 1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-4-methylpiperidin-3-ol?
1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-4-methylpiperidin-3-ol has a molecular weight of 341.33 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-4-methylpiperidin-3-ol is sourced from PubChem (CID 133446523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).