4-[1-(4-fluorophenyl)ethenyl]piperidine;hydrochloride

C13H17ClFN — CID 67623256

IUPAC4-[1-(4-fluorophenyl)ethenyl]piperidine;hydrochloride
SMILESC=C(c1ccc(F)cc1)C1CCNCC1.Cl
InChIInChI=1S/C13H16FN.ClH/c1-10(12-6-8-15-9-7-12)11-2-4-13(14)5-3-11;/h2-5,12,15H,1,6-9H2;1H
InChIKeyOHEVEKLBJSSXQN-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.26
Rot. Bonds2

About 4-[1-(4-fluorophenyl)ethenyl]piperidine;hydrochloride

4-[1-(4-fluorophenyl)ethenyl]piperidine;hydrochloride (PubChem CID 67623256) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)ethenyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)ethenyl]piperidine;hydrochloride
PubChem CID67623256
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC Name4-[1-(4-fluorophenyl)ethenyl]piperidine;hydrochloride
SMILESC=C(c1ccc(F)cc1)C1CCNCC1.Cl
InChIInChI=1S/C13H16FN.ClH/c1-10(12-6-8-15-9-7-12)11-2-4-13(14)5-3-11;/h2-5,12,15H,1,6-9H2;1H
InChIKeyOHEVEKLBJSSXQN-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)ethenyl]piperidine;hydrochloride?
The IUPAC name of 4-[1-(4-fluorophenyl)ethenyl]piperidine;hydrochloride (CID 67623256) is 4-[1-(4-fluorophenyl)ethenyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[1-(4-fluorophenyl)ethenyl]piperidine;hydrochloride?
The canonical SMILES for 4-[1-(4-fluorophenyl)ethenyl]piperidine;hydrochloride is C=C(c1ccc(F)cc1)C1CCNCC1.Cl.
What is the InChIKey of 4-[1-(4-fluorophenyl)ethenyl]piperidine;hydrochloride?
The InChIKey is OHEVEKLBJSSXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN.ClH/c1-10(12-6-8-15-9-7-12)11-2-4-13(14)5-3-11;/h2-5,12,15H,1,6-9H2;1H.
What are the key properties of 4-[1-(4-fluorophenyl)ethenyl]piperidine;hydrochloride?
4-[1-(4-fluorophenyl)ethenyl]piperidine;hydrochloride has a molecular weight of 241.74 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)ethenyl]piperidine;hydrochloride is sourced from PubChem (CID 67623256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).