2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine

C14H16F3N — CID 113443116

IUPAC2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine
SMILESFC(F)(F)c1ccc(/C=C/C2CCCCN2)cc1
InChIInChI=1S/C14H16F3N/c15-14(16,17)12-7-4-11(5-8-12)6-9-13-3-1-2-10-18-13/h4-9,13,18H,1-3,10H2/b9-6+
InChIKeySCERKYLBVGCZDI-RMKNXTFCSA-N
MW255.28 g/mol
LogP3.86
Rot. Bonds2

About 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine

2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine (PubChem CID 113443116) has the molecular formula C14H16F3N and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine.

Molecular Properties

Compound Name2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine
PubChem CID113443116
Molecular FormulaC14H16F3N
Molecular Weight255.28 g/mol
Exact Mass255.12
IUPAC Name2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine
SMILESFC(F)(F)c1ccc(/C=C/C2CCCCN2)cc1
InChIInChI=1S/C14H16F3N/c15-14(16,17)12-7-4-11(5-8-12)6-9-13-3-1-2-10-18-13/h4-9,13,18H,1-3,10H2/b9-6+
InChIKeySCERKYLBVGCZDI-RMKNXTFCSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(E)-2-(4-fluorophenyl)ethenyl]piperidine;hydrochloride
CID 126844801
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2-(2-phenylethenyl)pyrrolidine
CID 3705120
2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2,3-dihydro-1H-pyridin-6-one
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2-[1-[4-(trifluoromethyl)phenoxy]ethyl]piperidine
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2-[(E)-2-(3,5-dimethylphenyl)ethenyl]azocane
CID 114239669
2-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]piperidine
CID 104703643
2-[2-[2-nitro-6-(trifluoromethyl)phenyl]ethenyl]piperidine
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2-[4-(trifluoromethyl)phenyl]azepane
CID 3972899
1-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidin-1-yl]prop-2-en-1-one
CID 171093201
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CID 11758889

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine?
The IUPAC name of 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine (CID 113443116) is 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine.
What is the SMILES notation for 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine?
The canonical SMILES for 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine is FC(F)(F)c1ccc(/C=C/C2CCCCN2)cc1.
What is the InChIKey of 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine?
The InChIKey is SCERKYLBVGCZDI-RMKNXTFCSA-N. The full InChI is InChI=1S/C14H16F3N/c15-14(16,17)12-7-4-11(5-8-12)6-9-13-3-1-2-10-18-13/h4-9,13,18H,1-3,10H2/b9-6+.
What are the key properties of 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine?
2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine has a molecular weight of 255.28 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine is sourced from PubChem (CID 113443116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).