4,4,4-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol

C10H18F3NO3S — CID 79609549

IUPAC4,4,4-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol
SMILESCS(=O)(=O)N1CCCC(CC(O)CC(F)(F)F)C1
InChIInChI=1S/C10H18F3NO3S/c1-18(16,17)14-4-2-3-8(7-14)5-9(15)6-10(11,12)13/h8-9,15H,2-7H2,1H3
InChIKeyOLKWYNGAOURBHD-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.36
Rot. Bonds4

About 4,4,4-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol

4,4,4-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol (PubChem CID 79609549) has the molecular formula C10H18F3NO3S and a molecular weight of 289.32 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol
PubChem CID79609549
Molecular FormulaC10H18F3NO3S
Molecular Weight289.32 g/mol
Exact Mass289.10
IUPAC Name4,4,4-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol
SMILESCS(=O)(=O)N1CCCC(CC(O)CC(F)(F)F)C1
InChIInChI=1S/C10H18F3NO3S/c1-18(16,17)14-4-2-3-8(7-14)5-9(15)6-10(11,12)13/h8-9,15H,2-7H2,1H3
InChIKeyOLKWYNGAOURBHD-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

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
7-(Fluoromethylsulfonyl)-2-propan-2-yl-7-azaspiro[3.5]nonan-3-ol
CID 137386969
(3S,4S)-4-tert-butyl-1-(difluoromethylsulfonyl)piperidin-3-ol
CID 171582012
2-[1-(Trifluoromethylsulfonyl)piperidin-3-yl]ethanol
CID 62355756
2-[1-(Difluoromethylsulfonyl)piperidin-3-yl]ethanol
CID 62356107
2,2,2-Trifluoro-1-(1-propylsulfonylpiperidin-4-yl)ethanol
CID 71916120
2-[1-(Difluoromethylsulfonyl)piperidin-2-yl]cyclopentan-1-ol
CID 79545381
2-[1-(Difluoromethylsulfonyl)piperidin-2-yl]cyclohexan-1-ol
CID 79553806
1,1,1-Trifluoro-3-(1-methylsulfonylpiperidin-3-yl)propan-2-ol
CID 79612134
5,5,5-Trifluoro-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol
CID 79952729

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol?
The IUPAC name of 4,4,4-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol (CID 79609549) is 4,4,4-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol.
What is the SMILES notation for 4,4,4-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol?
The canonical SMILES for 4,4,4-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol is CS(=O)(=O)N1CCCC(CC(O)CC(F)(F)F)C1.
What is the InChIKey of 4,4,4-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol?
The InChIKey is OLKWYNGAOURBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3S/c1-18(16,17)14-4-2-3-8(7-14)5-9(15)6-10(11,12)13/h8-9,15H,2-7H2,1H3.
What are the key properties of 4,4,4-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol?
4,4,4-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)butan-2-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 4,4,4-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol is sourced from PubChem (CID 79609549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).