[1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]methanol

C10H18F3NO3S — CID 83059984

IUPAC[1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]methanol
SMILESO=S(=O)(CCCC(F)(F)F)N1CCCC(CO)C1
InChIInChI=1S/C10H18F3NO3S/c11-10(12,13)4-2-6-18(16,17)14-5-1-3-9(7-14)8-15/h9,15H,1-8H2
InChIKeyXIYHYFSEHKRHHN-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.36
Rot. Bonds5

About [1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]methanol

[1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]methanol (PubChem CID 83059984) has the molecular formula C10H18F3NO3S and a molecular weight of 289.32 g/mol. Its IUPAC name is [1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]methanol
PubChem CID83059984
Molecular FormulaC10H18F3NO3S
Molecular Weight289.32 g/mol
Exact Mass289.10
IUPAC Name[1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]methanol
SMILESO=S(=O)(CCCC(F)(F)F)N1CCCC(CO)C1
InChIInChI=1S/C10H18F3NO3S/c11-10(12,13)4-2-6-18(16,17)14-5-1-3-9(7-14)8-15/h9,15H,1-8H2
InChIKeyXIYHYFSEHKRHHN-UHFFFAOYSA-N
XLogP1.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

(3S)-1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-ol
CID 107225039
(1-butylsulfonylpiperidin-3-yl)methanol
CID 43589616
1-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]ethanone
CID 83057913
2-[1-(3-methoxypropylsulfonyl)piperidin-3-yl]ethanol
CID 63290285
[1-(2-piperidin-4-ylethylsulfonyl)pyrrolidin-3-yl]methanol
CID 112625660
[1-(2-piperidin-2-ylethylsulfonyl)piperidin-3-yl]methanol
CID 60890880
1-(4,4,4-trifluorobutylsulfonyl)piperidine-4-carbaldehyde
CID 83058258
N-[[(3R)-1-butylsulfonylpiperidin-3-yl]methyl]-2,2-dimethylpropanamide
CID 95331028
1-(3-fluoropropylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine
CID 154789563
N,3-dimethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine
CID 114498826
4-(4,4,4-trifluorobutylsulfonyl)morpholine-2-carboxylic acid
CID 83067729
2-[1-(2-aminoethylsulfonyl)piperidin-3-yl]ethanol
CID 107227327

Frequently Asked Questions

What is the IUPAC name of [1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]methanol?
The IUPAC name of [1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]methanol (CID 83059984) is [1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]methanol is O=S(=O)(CCCC(F)(F)F)N1CCCC(CO)C1.
What is the InChIKey of [1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]methanol?
The InChIKey is XIYHYFSEHKRHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3S/c11-10(12,13)4-2-6-18(16,17)14-5-1-3-9(7-14)8-15/h9,15H,1-8H2.
What are the key properties of [1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]methanol?
[1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]methanol has a molecular weight of 289.32 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]methanol is sourced from PubChem (CID 83059984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).