2-[(E)-2-(2-fluorophenyl)ethenyl]piperidine;hydrochloride

C13H17ClFN — CID 126844744

IUPAC2-[(E)-2-(2-fluorophenyl)ethenyl]piperidine;hydrochloride
SMILESCl.Fc1ccccc1/C=C/C1CCCCN1
InChIInChI=1S/C13H16FN.ClH/c14-13-7-2-1-5-11(13)8-9-12-6-3-4-10-15-12;/h1-2,5,7-9,12,15H,3-4,6,10H2;1H/b9-8+;
InChIKeyHAKNNSODONGHTE-HRNDJLQDSA-N
MW241.74 g/mol
LogP3.40
Rot. Bonds2

About 2-[(E)-2-(2-fluorophenyl)ethenyl]piperidine;hydrochloride

2-[(E)-2-(2-fluorophenyl)ethenyl]piperidine;hydrochloride (PubChem CID 126844744) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is 2-[(E)-2-(2-fluorophenyl)ethenyl]piperidine;hydrochloride.

Molecular Properties

Compound Name2-[(E)-2-(2-fluorophenyl)ethenyl]piperidine;hydrochloride
PubChem CID126844744
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC Name2-[(E)-2-(2-fluorophenyl)ethenyl]piperidine;hydrochloride
SMILESCl.Fc1ccccc1/C=C/C1CCCCN1
InChIInChI=1S/C13H16FN.ClH/c14-13-7-2-1-5-11(13)8-9-12-6-3-4-10-15-12;/h1-2,5,7-9,12,15H,3-4,6,10H2;1H/b9-8+;
InChIKeyHAKNNSODONGHTE-HRNDJLQDSA-N
XLogP3.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2-fluorophenyl)ethenyl]piperidine;hydrochloride?
The IUPAC name of 2-[(E)-2-(2-fluorophenyl)ethenyl]piperidine;hydrochloride (CID 126844744) is 2-[(E)-2-(2-fluorophenyl)ethenyl]piperidine;hydrochloride.
What is the SMILES notation for 2-[(E)-2-(2-fluorophenyl)ethenyl]piperidine;hydrochloride?
The canonical SMILES for 2-[(E)-2-(2-fluorophenyl)ethenyl]piperidine;hydrochloride is Cl.Fc1ccccc1/C=C/C1CCCCN1.
What is the InChIKey of 2-[(E)-2-(2-fluorophenyl)ethenyl]piperidine;hydrochloride?
The InChIKey is HAKNNSODONGHTE-HRNDJLQDSA-N. The full InChI is InChI=1S/C13H16FN.ClH/c14-13-7-2-1-5-11(13)8-9-12-6-3-4-10-15-12;/h1-2,5,7-9,12,15H,3-4,6,10H2;1H/b9-8+;.
What are the key properties of 2-[(E)-2-(2-fluorophenyl)ethenyl]piperidine;hydrochloride?
2-[(E)-2-(2-fluorophenyl)ethenyl]piperidine;hydrochloride has a molecular weight of 241.74 g/mol, XLogP of 3.40, 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-fluorophenyl)ethenyl]piperidine;hydrochloride is sourced from PubChem (CID 126844744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).