1-[2-(4-fluorophenyl)sulfanylphenyl]piperazine;hydrochloride

C16H18ClFN2S — CID 53237439

IUPAC1-[2-(4-fluorophenyl)sulfanylphenyl]piperazine;hydrochloride
SMILESCl.Fc1ccc(Sc2ccccc2N2CCNCC2)cc1
InChIInChI=1S/C16H17FN2S.ClH/c17-13-5-7-14(8-6-13)20-16-4-2-1-3-15(16)19-11-9-18-10-12-19;/h1-8,18H,9-12H2;1H
InChIKeyXJSIHFKFXLFZEG-UHFFFAOYSA-N
MW324.85 g/mol
LogP3.81
Rot. Bonds3

About 1-[2-(4-fluorophenyl)sulfanylphenyl]piperazine;hydrochloride

1-[2-(4-fluorophenyl)sulfanylphenyl]piperazine;hydrochloride (PubChem CID 53237439) has the molecular formula C16H18ClFN2S and a molecular weight of 324.85 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)sulfanylphenyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)sulfanylphenyl]piperazine;hydrochloride
PubChem CID53237439
Molecular FormulaC16H18ClFN2S
Molecular Weight324.85 g/mol
Exact Mass324.09
IUPAC Name1-[2-(4-fluorophenyl)sulfanylphenyl]piperazine;hydrochloride
SMILESCl.Fc1ccc(Sc2ccccc2N2CCNCC2)cc1
InChIInChI=1S/C16H17FN2S.ClH/c17-13-5-7-14(8-6-13)20-16-4-2-1-3-15(16)19-11-9-18-10-12-19;/h1-8,18H,9-12H2;1H
InChIKeyXJSIHFKFXLFZEG-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(4-fluorophenyl)sulfanylphenyl]piperazine;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)sulfanylphenyl]piperazine;hydrochloride?
The IUPAC name of 1-[2-(4-fluorophenyl)sulfanylphenyl]piperazine;hydrochloride (CID 53237439) is 1-[2-(4-fluorophenyl)sulfanylphenyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[2-(4-fluorophenyl)sulfanylphenyl]piperazine;hydrochloride?
The canonical SMILES for 1-[2-(4-fluorophenyl)sulfanylphenyl]piperazine;hydrochloride is Cl.Fc1ccc(Sc2ccccc2N2CCNCC2)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)sulfanylphenyl]piperazine;hydrochloride?
The InChIKey is XJSIHFKFXLFZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2S.ClH/c17-13-5-7-14(8-6-13)20-16-4-2-1-3-15(16)19-11-9-18-10-12-19;/h1-8,18H,9-12H2;1H.
What are the key properties of 1-[2-(4-fluorophenyl)sulfanylphenyl]piperazine;hydrochloride?
1-[2-(4-fluorophenyl)sulfanylphenyl]piperazine;hydrochloride has a molecular weight of 324.85 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)sulfanylphenyl]piperazine;hydrochloride is sourced from PubChem (CID 53237439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).