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

C10H18F3NO3S — CID 113356104

IUPAC4-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-ol
SMILESCC1CCN(S(=O)(=O)CCCC(F)(F)F)CC1O
InChIInChI=1S/C10H18F3NO3S/c1-8-3-5-14(7-9(8)15)18(16,17)6-2-4-10(11,12)13/h8-9,15H,2-7H2,1H3
InChIKeyBMTAFOWYWPOYEK-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.36
Rot. Bonds4

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

4-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-ol (PubChem CID 113356104) has the molecular formula C10H18F3NO3S and a molecular weight of 289.32 g/mol. Its IUPAC name is 4-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-ol.

Molecular Properties

Compound Name4-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-ol
PubChem CID113356104
Molecular FormulaC10H18F3NO3S
Molecular Weight289.32 g/mol
Exact Mass289.10
IUPAC Name4-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-ol
SMILESCC1CCN(S(=O)(=O)CCCC(F)(F)F)CC1O
InChIInChI=1S/C10H18F3NO3S/c1-8-3-5-14(7-9(8)15)18(16,17)6-2-4-10(11,12)13/h8-9,15H,2-7H2,1H3
InChIKeyBMTAFOWYWPOYEK-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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Related Compounds

2,2,2-Trifluoro-1-[1-(oxolan-3-ylmethylsulfonyl)piperidin-4-yl]ethanol
CID 75427686
(1S)-1-[1-(2-cyclopropylethylsulfonyl)piperidin-4-yl]ethanol
CID 164639391
1-Methanesulfonyl-4-(2,2,2-trifluoro-1-hydroxyethyl)-piperidine
CID 67402269
4-Fluoro-1-methanesulfonyl-4-(2,2,2-trifluoro-1-hydroxy-ethyl)piperidine
CID 67402461
2,2,2-Trifluoro-1-(4-methyl-1-methylsulfonylpiperidin-4-yl)ethanol
CID 70886776
(3S,5R)-5-(difluoromethyl)-1-methylsulfonylpiperidin-3-ol
CID 126716174
5-(Difluoromethyl)-1-methylsulfonylpiperidin-3-ol
CID 126716175
(3S,4R)-1-(difluoromethylsulfonyl)-4-methylpiperidin-3-ol
CID 167090116
(3S,4S)-4-tert-butyl-1-(difluoromethylsulfonyl)piperidin-3-ol
CID 171582012
(3S,4S)-4-methyl-1-(trifluoromethylsulfonyl)piperidin-3-ol
CID 176688190
2-[3-(Trifluoromethyl)piperidin-1-yl]sulfonylpropan-1-ol
CID 65732239
4-[4-(Trifluoromethyl)piperidin-1-yl]sulfonylbutan-1-ol
CID 65732431

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-ol?
The IUPAC name of 4-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-ol (CID 113356104) is 4-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-ol.
What is the SMILES notation for 4-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-ol?
The canonical SMILES for 4-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-ol is CC1CCN(S(=O)(=O)CCCC(F)(F)F)CC1O.
What is the InChIKey of 4-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-ol?
The InChIKey is BMTAFOWYWPOYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3S/c1-8-3-5-14(7-9(8)15)18(16,17)6-2-4-10(11,12)13/h8-9,15H,2-7H2,1H3.
What are the key properties of 4-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-ol?
4-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-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 4-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-ol is sourced from PubChem (CID 113356104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).