1-[3-(trifluoromethylsulfonyl)phenyl]piperidine

C12H14F3NO2S — CID 67355802

IUPAC1-[3-(trifluoromethylsulfonyl)phenyl]piperidine
SMILESO=S(=O)(c1cccc(N2CCCCC2)c1)C(F)(F)F
InChIInChI=1S/C12H14F3NO2S/c13-12(14,15)19(17,18)11-6-4-5-10(9-11)16-7-2-1-3-8-16/h4-6,9H,1-3,7-8H2
InChIKeyHQHFYCUUEGTQNW-UHFFFAOYSA-N
MW293.31 g/mol
LogP2.97
Rot. Bonds2

About 1-[3-(trifluoromethylsulfonyl)phenyl]piperidine

1-[3-(trifluoromethylsulfonyl)phenyl]piperidine (PubChem CID 67355802) has the molecular formula C12H14F3NO2S and a molecular weight of 293.31 g/mol. Its IUPAC name is 1-[3-(trifluoromethylsulfonyl)phenyl]piperidine.

Molecular Properties

Compound Name1-[3-(trifluoromethylsulfonyl)phenyl]piperidine
PubChem CID67355802
Molecular FormulaC12H14F3NO2S
Molecular Weight293.31 g/mol
Exact Mass293.07
IUPAC Name1-[3-(trifluoromethylsulfonyl)phenyl]piperidine
SMILESO=S(=O)(c1cccc(N2CCCCC2)c1)C(F)(F)F
InChIInChI=1S/C12H14F3NO2S/c13-12(14,15)19(17,18)11-6-4-5-10(9-11)16-7-2-1-3-8-16/h4-6,9H,1-3,7-8H2
InChIKeyHQHFYCUUEGTQNW-UHFFFAOYSA-N
XLogP2.97
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-oxo-3-[3-(trifluoromethylsulfonyl)phenyl]-1,3-thiazolidin-5-ol
CID 67792609
1-(3-propan-2-ylsulfonylphenyl)pyrrolidine
CID 168514777
1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide
CID 171925021
(2S,6R)-2,6-dimethyl-1-prop-2-enyl-4-[3-(trifluoromethylsulfonyl)phenyl]piperazine
CID 70000045
3-methylbenzenesulfonic acid;1-phenylpiperidine
CID 174770364
1-(3-chlorophenyl)azonane
CID 145391535
bis(3-(trifluoromethylsulfonyl)phenol);zirconium
CID 161276997
3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide
CID 110362158
3-piperazin-1-ylbenzenesulfonyl fluoride;hydrochloride
CID 166000810
3-piperidin-1-ylbenzenethiol
CID 13029856
1-(3-sulfamoylphenyl)piperidine-4-carboxamide
CID 67036773
N-[5-(azepan-1-yl)-2-methylphenyl]-1,1,1-trifluoromethanesulfonamide
CID 13062385

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethylsulfonyl)phenyl]piperidine?
The IUPAC name of 1-[3-(trifluoromethylsulfonyl)phenyl]piperidine (CID 67355802) is 1-[3-(trifluoromethylsulfonyl)phenyl]piperidine.
What is the SMILES notation for 1-[3-(trifluoromethylsulfonyl)phenyl]piperidine?
The canonical SMILES for 1-[3-(trifluoromethylsulfonyl)phenyl]piperidine is O=S(=O)(c1cccc(N2CCCCC2)c1)C(F)(F)F.
What is the InChIKey of 1-[3-(trifluoromethylsulfonyl)phenyl]piperidine?
The InChIKey is HQHFYCUUEGTQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2S/c13-12(14,15)19(17,18)11-6-4-5-10(9-11)16-7-2-1-3-8-16/h4-6,9H,1-3,7-8H2.
What are the key properties of 1-[3-(trifluoromethylsulfonyl)phenyl]piperidine?
1-[3-(trifluoromethylsulfonyl)phenyl]piperidine has a molecular weight of 293.31 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethylsulfonyl)phenyl]piperidine is sourced from PubChem (CID 67355802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).