3-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol

C10H18F3NO3S — CID 114501668

IUPAC3-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol
SMILESCC1CN(S(=O)(=O)CCCC(F)(F)F)CCC1O
InChIInChI=1S/C10H18F3NO3S/c1-8-7-14(5-3-9(8)15)18(16,17)6-2-4-10(11,12)13/h8-9,15H,2-7H2,1H3
InChIKeyFZICTZBIYJGIFV-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.36
Rot. Bonds4

About 3-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol

3-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol (PubChem CID 114501668) has the molecular formula C10H18F3NO3S and a molecular weight of 289.32 g/mol. Its IUPAC name is 3-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol.

Molecular Properties

Compound Name3-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol
PubChem CID114501668
Molecular FormulaC10H18F3NO3S
Molecular Weight289.32 g/mol
Exact Mass289.10
IUPAC Name3-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol
SMILESCC1CN(S(=O)(=O)CCCC(F)(F)F)CCC1O
InChIInChI=1S/C10H18F3NO3S/c1-8-7-14(5-3-9(8)15)18(16,17)6-2-4-10(11,12)13/h8-9,15H,2-7H2,1H3
InChIKeyFZICTZBIYJGIFV-UHFFFAOYSA-N
XLogP1.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol?
The IUPAC name of 3-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol (CID 114501668) is 3-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol.
What is the SMILES notation for 3-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol?
The canonical SMILES for 3-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol is CC1CN(S(=O)(=O)CCCC(F)(F)F)CCC1O.
What is the InChIKey of 3-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol?
The InChIKey is FZICTZBIYJGIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3S/c1-8-7-14(5-3-9(8)15)18(16,17)6-2-4-10(11,12)13/h8-9,15H,2-7H2,1H3.
What are the key properties of 3-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol?
3-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol has a molecular weight of 289.32 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-ol is sourced from PubChem (CID 114501668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).