4-methyl-1-(trifluoromethylsulfonyl)piperidin-4-ol

C7H12F3NO3S — CID 81103098

IUPAC4-methyl-1-(trifluoromethylsulfonyl)piperidin-4-ol
SMILESCC1(O)CCN(S(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C7H12F3NO3S/c1-6(12)2-4-11(5-3-6)15(13,14)7(8,9)10/h12H,2-5H2,1H3
InChIKeyRCJYMKUGQVFBPA-UHFFFAOYSA-N
MW247.24 g/mol
LogP0.68
Rot. Bonds1

About 4-methyl-1-(trifluoromethylsulfonyl)piperidin-4-ol

4-methyl-1-(trifluoromethylsulfonyl)piperidin-4-ol (PubChem CID 81103098) has the molecular formula C7H12F3NO3S and a molecular weight of 247.24 g/mol. Its IUPAC name is 4-methyl-1-(trifluoromethylsulfonyl)piperidin-4-ol.

Molecular Properties

Compound Name4-methyl-1-(trifluoromethylsulfonyl)piperidin-4-ol
PubChem CID81103098
Molecular FormulaC7H12F3NO3S
Molecular Weight247.24 g/mol
Exact Mass247.05
IUPAC Name4-methyl-1-(trifluoromethylsulfonyl)piperidin-4-ol
SMILESCC1(O)CCN(S(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C7H12F3NO3S/c1-6(12)2-4-11(5-3-6)15(13,14)7(8,9)10/h12H,2-5H2,1H3
InChIKeyRCJYMKUGQVFBPA-UHFFFAOYSA-N
XLogP0.68
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(trifluoromethylsulfonyl)piperidin-4-ol?
The IUPAC name of 4-methyl-1-(trifluoromethylsulfonyl)piperidin-4-ol (CID 81103098) is 4-methyl-1-(trifluoromethylsulfonyl)piperidin-4-ol.
What is the SMILES notation for 4-methyl-1-(trifluoromethylsulfonyl)piperidin-4-ol?
The canonical SMILES for 4-methyl-1-(trifluoromethylsulfonyl)piperidin-4-ol is CC1(O)CCN(S(=O)(=O)C(F)(F)F)CC1.
What is the InChIKey of 4-methyl-1-(trifluoromethylsulfonyl)piperidin-4-ol?
The InChIKey is RCJYMKUGQVFBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO3S/c1-6(12)2-4-11(5-3-6)15(13,14)7(8,9)10/h12H,2-5H2,1H3.
What are the key properties of 4-methyl-1-(trifluoromethylsulfonyl)piperidin-4-ol?
4-methyl-1-(trifluoromethylsulfonyl)piperidin-4-ol has a molecular weight of 247.24 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(trifluoromethylsulfonyl)piperidin-4-ol is sourced from PubChem (CID 81103098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).