1-(4-fluorophenyl)-4-sulfanylpiperazine

C10H13FN2S — CID 123797629

IUPAC1-(4-fluorophenyl)-4-sulfanylpiperazine
SMILESFc1ccc(N2CCN(S)CC2)cc1
InChIInChI=1S/C10H13FN2S/c11-9-1-3-10(4-2-9)12-5-7-13(14)8-6-12/h1-4,14H,5-8H2
InChIKeyLEBRJRVFVWUSKX-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.79
Rot. Bonds1

About 1-(4-fluorophenyl)-4-sulfanylpiperazine

1-(4-fluorophenyl)-4-sulfanylpiperazine (PubChem CID 123797629) has the molecular formula C10H13FN2S and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-sulfanylpiperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-sulfanylpiperazine
PubChem CID123797629
Molecular FormulaC10H13FN2S
Molecular Weight212.29 g/mol
Exact Mass212.08
IUPAC Name1-(4-fluorophenyl)-4-sulfanylpiperazine
SMILESFc1ccc(N2CCN(S)CC2)cc1
InChIInChI=1S/C10H13FN2S/c11-9-1-3-10(4-2-9)12-5-7-13(14)8-6-12/h1-4,14H,5-8H2
InChIKeyLEBRJRVFVWUSKX-UHFFFAOYSA-N
XLogP1.79
TPSA6.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102356016
sodium;4-(4-fluorophenyl)piperazine-1-carbodithioic acid;hydride
CID 175321154
4-[4-(4-fluorophenyl)piperazin-1-yl]benzaldehyde
CID 28603665
ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine
CID 144656780
3-fluoro-5-[4-(4-fluorophenyl)piperazin-1-yl]aniline
CID 60875546
3-[4-(4-fluorophenyl)piperazin-1-yl]aniline
CID 28799981
4-(4-fluorophenyl)-1,1-dimethylpiperazin-1-ium
CID 10903809
azane;1-(4-fluorophenyl)piperazine;platinum;dihydrochloride
CID 71542549
1-(4-fluorophenyl)piperidin-4-amine;hydrochloride
CID 53442031
4-[4-(4-fluorophenyl)piperazin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 24878688
1-(4-acetylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508298
3-[4-(4-fluorophenyl)piperazin-1-yl]-4-morpholin-4-ylcyclobut-3-ene-1,2-dione
CID 53368386

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-sulfanylpiperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-sulfanylpiperazine (CID 123797629) is 1-(4-fluorophenyl)-4-sulfanylpiperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-sulfanylpiperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-sulfanylpiperazine is Fc1ccc(N2CCN(S)CC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-sulfanylpiperazine?
The InChIKey is LEBRJRVFVWUSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2S/c11-9-1-3-10(4-2-9)12-5-7-13(14)8-6-12/h1-4,14H,5-8H2.
What are the key properties of 1-(4-fluorophenyl)-4-sulfanylpiperazine?
1-(4-fluorophenyl)-4-sulfanylpiperazine has a molecular weight of 212.29 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-sulfanylpiperazine is sourced from PubChem (CID 123797629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).