2-[(E)-2-(2,4-difluorophenyl)ethenyl]piperidine

C13H15F2N — CID 104703649

IUPAC2-[(E)-2-(2,4-difluorophenyl)ethenyl]piperidine
SMILESFc1ccc(/C=C/C2CCCCN2)c(F)c1
InChIInChI=1S/C13H15F2N/c14-11-6-4-10(13(15)9-11)5-7-12-3-1-2-8-16-12/h4-7,9,12,16H,1-3,8H2/b7-5+
InChIKeyUCOOCCBNJJCOBH-FNORWQNLSA-N
MW223.27 g/mol
LogP3.12
Rot. Bonds2

About 2-[(E)-2-(2,4-difluorophenyl)ethenyl]piperidine

2-[(E)-2-(2,4-difluorophenyl)ethenyl]piperidine (PubChem CID 104703649) has the molecular formula C13H15F2N and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-[(E)-2-(2,4-difluorophenyl)ethenyl]piperidine.

Molecular Properties

Compound Name2-[(E)-2-(2,4-difluorophenyl)ethenyl]piperidine
PubChem CID104703649
Molecular FormulaC13H15F2N
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-[(E)-2-(2,4-difluorophenyl)ethenyl]piperidine
SMILESFc1ccc(/C=C/C2CCCCN2)c(F)c1
InChIInChI=1S/C13H15F2N/c14-11-6-4-10(13(15)9-11)5-7-12-3-1-2-8-16-12/h4-7,9,12,16H,1-3,8H2/b7-5+
InChIKeyUCOOCCBNJJCOBH-FNORWQNLSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(E)-2-(2-fluorophenyl)ethenyl]azocane
CID 114239682
2-[(E)-2-(2-fluorophenyl)ethenyl]piperidine;hydrochloride
CID 126844744
2-[(E)-2-(4-fluorophenyl)ethenyl]piperidine;hydrochloride
CID 126844801
2-[(E)-2-(2,4-dimethylphenyl)ethenyl]piperidine
CID 104703670
2-[(E)-2-(3,5-difluorophenyl)ethenyl]pyrrolidine;hydrochloride
CID 126844673
2-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]piperidine
CID 104703643
2-[(E)-2-(2-methoxyphenyl)ethenyl]azepane
CID 104703913
2-[(E)-2-(2,5-difluorophenyl)ethenyl]-4-methylpiperidine
CID 116686106
(2R)-2-[(Z)-2-phenylethenyl]azepane
CID 97289892
2-[(E)-2-(3,5-dimethylphenyl)ethenyl]azocane
CID 114239669
2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine
CID 113443116
2-[(E)-2-(2-methylphenyl)ethenyl]pyrrolidine
CID 104703767

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2,4-difluorophenyl)ethenyl]piperidine?
The IUPAC name of 2-[(E)-2-(2,4-difluorophenyl)ethenyl]piperidine (CID 104703649) is 2-[(E)-2-(2,4-difluorophenyl)ethenyl]piperidine.
What is the SMILES notation for 2-[(E)-2-(2,4-difluorophenyl)ethenyl]piperidine?
The canonical SMILES for 2-[(E)-2-(2,4-difluorophenyl)ethenyl]piperidine is Fc1ccc(/C=C/C2CCCCN2)c(F)c1.
What is the InChIKey of 2-[(E)-2-(2,4-difluorophenyl)ethenyl]piperidine?
The InChIKey is UCOOCCBNJJCOBH-FNORWQNLSA-N. The full InChI is InChI=1S/C13H15F2N/c14-11-6-4-10(13(15)9-11)5-7-12-3-1-2-8-16-12/h4-7,9,12,16H,1-3,8H2/b7-5+.
What are the key properties of 2-[(E)-2-(2,4-difluorophenyl)ethenyl]piperidine?
2-[(E)-2-(2,4-difluorophenyl)ethenyl]piperidine has a molecular weight of 223.27 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2,4-difluorophenyl)ethenyl]piperidine is sourced from PubChem (CID 104703649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).