2-[(E)-2-phenylethenyl]-1-(trifluoromethylsulfonyl)piperidine

C14H16F3NO2S — CID 11723464

IUPAC2-[(E)-2-phenylethenyl]-1-(trifluoromethylsulfonyl)piperidine
SMILESO=S(=O)(N1CCCCC1/C=C/c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H16F3NO2S/c15-14(16,17)21(19,20)18-11-5-4-8-13(18)10-9-12-6-2-1-3-7-12/h1-3,6-7,9-10,13H,4-5,8,11H2/b10-9+
InChIKeyXISFFTSPWMNREH-MDZDMXLPSA-N
MW319.35 g/mol
LogP3.40
Rot. Bonds3

About 2-[(E)-2-phenylethenyl]-1-(trifluoromethylsulfonyl)piperidine

2-[(E)-2-phenylethenyl]-1-(trifluoromethylsulfonyl)piperidine (PubChem CID 11723464) has the molecular formula C14H16F3NO2S and a molecular weight of 319.35 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]-1-(trifluoromethylsulfonyl)piperidine.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]-1-(trifluoromethylsulfonyl)piperidine
PubChem CID11723464
Molecular FormulaC14H16F3NO2S
Molecular Weight319.35 g/mol
Exact Mass319.09
IUPAC Name2-[(E)-2-phenylethenyl]-1-(trifluoromethylsulfonyl)piperidine
SMILESO=S(=O)(N1CCCCC1/C=C/c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H16F3NO2S/c15-14(16,17)21(19,20)18-11-5-4-8-13(18)10-9-12-6-2-1-3-7-12/h1-3,6-7,9-10,13H,4-5,8,11H2/b10-9+
InChIKeyXISFFTSPWMNREH-MDZDMXLPSA-N
XLogP3.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[(E)-2-phenylethenyl]azepane-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674341
1-hydroxy-2-(2-phenylethenyl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 70581540
4-[2-[(E)-2-phenylethenyl]pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674645
(2S)-1-(trifluoromethylsulfonyl)piperidine-2-carboxylic acid
CID 66262970
(2S)-5-phenyl-2-[(E)-2-phenylethenyl]-1-(trifluoromethylsulfonyl)-2,3-dihydroindole
CID 155933576
(E)-1-[2-(hydroxymethyl)azepan-1-yl]-3-phenylprop-2-en-1-one
CID 116635920
4-[[2-[(E)-2-phenylethenyl]azepane-1-carbonyl]amino]butanoic acid
CID 122022245
2-[4-[[2-[(E)-2-phenylethenyl]azepan-1-yl]methyl]triazol-1-yl]acetic acid
CID 167954999
5-[(2R)-2-[(E)-2-phenylethenyl]pyrrolidine-1-carbonyl]furan-2-carboxylic acid
CID 124890677
(5S)-5-[2-oxo-2-[2-[(E)-2-phenylethenyl]azepan-1-yl]ethyl]imidazolidine-2,4-dione
CID 132971591
1-benzyl-2-[(E)-2-phenylethenyl]pyrrolidine
CID 10563534
4-methyl-2-[(E)-2-phenylethenyl]-1-thiophen-2-ylsulfonylazepane
CID 165177344

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylethenyl]-1-(trifluoromethylsulfonyl)piperidine?
The IUPAC name of 2-[(E)-2-phenylethenyl]-1-(trifluoromethylsulfonyl)piperidine (CID 11723464) is 2-[(E)-2-phenylethenyl]-1-(trifluoromethylsulfonyl)piperidine.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]-1-(trifluoromethylsulfonyl)piperidine?
The canonical SMILES for 2-[(E)-2-phenylethenyl]-1-(trifluoromethylsulfonyl)piperidine is O=S(=O)(N1CCCCC1/C=C/c1ccccc1)C(F)(F)F.
What is the InChIKey of 2-[(E)-2-phenylethenyl]-1-(trifluoromethylsulfonyl)piperidine?
The InChIKey is XISFFTSPWMNREH-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H16F3NO2S/c15-14(16,17)21(19,20)18-11-5-4-8-13(18)10-9-12-6-2-1-3-7-12/h1-3,6-7,9-10,13H,4-5,8,11H2/b10-9+.
What are the key properties of 2-[(E)-2-phenylethenyl]-1-(trifluoromethylsulfonyl)piperidine?
2-[(E)-2-phenylethenyl]-1-(trifluoromethylsulfonyl)piperidine has a molecular weight of 319.35 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylethenyl]-1-(trifluoromethylsulfonyl)piperidine is sourced from PubChem (CID 11723464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).