2-[2-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridine;hydrochloride

C13H15ClFN — CID 67616043

IUPAC2-[2-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridine;hydrochloride
SMILESCl.Fc1ccc(C=CC2CC=CCN2)cc1
InChIInChI=1S/C13H14FN.ClH/c14-12-7-4-11(5-8-12)6-9-13-3-1-2-10-15-13;/h1-2,4-9,13,15H,3,10H2;1H
InChIKeyKCLJGYCUZOGPNU-UHFFFAOYSA-N
MW239.72 g/mol
LogP3.18
Rot. Bonds2

About 2-[2-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridine;hydrochloride

2-[2-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridine;hydrochloride (PubChem CID 67616043) has the molecular formula C13H15ClFN and a molecular weight of 239.72 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridine;hydrochloride.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridine;hydrochloride
PubChem CID67616043
Molecular FormulaC13H15ClFN
Molecular Weight239.72 g/mol
Exact Mass239.09
IUPAC Name2-[2-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridine;hydrochloride
SMILESCl.Fc1ccc(C=CC2CC=CCN2)cc1
InChIInChI=1S/C13H14FN.ClH/c14-12-7-4-11(5-8-12)6-9-13-3-1-2-10-15-13;/h1-2,4-9,13,15H,3,10H2;1H
InChIKeyKCLJGYCUZOGPNU-UHFFFAOYSA-N
XLogP3.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.72
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[2-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(E)-2-(4-fluorophenyl)ethenyl]piperidine;hydrochloride
CID 126844801
1-fluoro-4-[(1E,3E)-4-(4-fluorophenyl)buta-1,3-dienyl]benzene
CID 12032378
2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2,3-dihydro-1H-pyridin-6-one
CID 70683812
2-[(E)-2-(4-fluorophenyl)ethenyl]pyrrolidine-3-carboxylic acid
CID 82363531
(4R)-4-[(E)-2-(4-fluorophenyl)ethenyl]oxolan-2-ol
CID 25104829
4-[(Z)-2-(4-fluorophenyl)ethenyl]-1-prop-2-ynylpiperidine
CID 155551843
2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine
CID 113443116
4-[(E)-2-(4-fluorophenyl)ethenyl]-N,N-dimethyl-1-phenylcyclohexan-1-amine;hydrochloride
CID 10451113
4-[2-(4-fluorophenyl)ethenyl]-N,N-dimethyl-1-phenylcyclohexan-1-amine;hydrochloride
CID 68831952
1-fluoro-4-[4-[(E)-2-fluoroethenyl]phenyl]benzene
CID 19780903
1-fluoro-4-[2-[4-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfanylphenyl]ethenyl]benzene
CID 72543273
2-[2-(4-fluorophenyl)ethenyl]-6-[2-[6-[2-(4-fluorophenyl)ethenyl]naphthalen-2-yl]ethenyl]naphthalene
CID 72534274

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridine;hydrochloride?
The IUPAC name of 2-[2-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridine;hydrochloride (CID 67616043) is 2-[2-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridine;hydrochloride.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridine;hydrochloride?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridine;hydrochloride is Cl.Fc1ccc(C=CC2CC=CCN2)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridine;hydrochloride?
The InChIKey is KCLJGYCUZOGPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN.ClH/c14-12-7-4-11(5-8-12)6-9-13-3-1-2-10-15-13;/h1-2,4-9,13,15H,3,10H2;1H.
What are the key properties of 2-[2-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridine;hydrochloride?
2-[2-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridine;hydrochloride has a molecular weight of 239.72 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethenyl]-1,2,3,6-tetrahydropyridine;hydrochloride is sourced from PubChem (CID 67616043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).