[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanol

C7H12F3NO3S — CID 60958443

IUPAC[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanol
SMILESO=S(=O)(N1CCC(CO)CC1)C(F)(F)F
InChIInChI=1S/C7H12F3NO3S/c8-7(9,10)15(13,14)11-3-1-6(5-12)2-4-11/h6,12H,1-5H2
InChIKeyDJQHFWGTNUYRGT-UHFFFAOYSA-N
MW247.24 g/mol
LogP0.54
Rot. Bonds2

About [1-(trifluoromethylsulfonyl)piperidin-4-yl]methanol

[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanol (PubChem CID 60958443) has the molecular formula C7H12F3NO3S and a molecular weight of 247.24 g/mol. Its IUPAC name is [1-(trifluoromethylsulfonyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanol
PubChem CID60958443
Molecular FormulaC7H12F3NO3S
Molecular Weight247.24 g/mol
Exact Mass247.05
IUPAC Name[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanol
SMILESO=S(=O)(N1CCC(CO)CC1)C(F)(F)F
InChIInChI=1S/C7H12F3NO3S/c8-7(9,10)15(13,14)11-3-1-6(5-12)2-4-11/h6,12H,1-5H2
InChIKeyDJQHFWGTNUYRGT-UHFFFAOYSA-N
XLogP0.54
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Hydroxymethyl)piperidine-1-sulfonyl fluoride
CID 121552321
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
(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-methyl-1-(trifluoromethylsulfonyl)piperidin-3-ol
CID 176688190
1-(Trifluoromethylsulfonyl)piperidin-3-ol
CID 43502928
[1-(Difluoromethylsulfonyl)piperidin-3-yl]methanol
CID 43589669
[1-(Trifluoromethylsulfonyl)piperidin-3-yl]methanol
CID 43589682
[1-(Difluoromethylsulfonyl)piperidin-4-yl]methanol
CID 60956552
2-[1-(Trifluoromethylsulfonyl)piperidin-3-yl]ethanol
CID 62355756

Frequently Asked Questions

What is the IUPAC name of [1-(trifluoromethylsulfonyl)piperidin-4-yl]methanol?
The IUPAC name of [1-(trifluoromethylsulfonyl)piperidin-4-yl]methanol (CID 60958443) is [1-(trifluoromethylsulfonyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(trifluoromethylsulfonyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(trifluoromethylsulfonyl)piperidin-4-yl]methanol is O=S(=O)(N1CCC(CO)CC1)C(F)(F)F.
What is the InChIKey of [1-(trifluoromethylsulfonyl)piperidin-4-yl]methanol?
The InChIKey is DJQHFWGTNUYRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO3S/c8-7(9,10)15(13,14)11-3-1-6(5-12)2-4-11/h6,12H,1-5H2.
What are the key properties of [1-(trifluoromethylsulfonyl)piperidin-4-yl]methanol?
[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanol has a molecular weight of 247.24 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(trifluoromethylsulfonyl)piperidin-4-yl]methanol is sourced from PubChem (CID 60958443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).