1-(4-chlorophenyl)-4-[3-(4-fluorophenyl)sulfanylpropyl]piperazine

C19H22ClFN2S — CID 57401820

IUPAC1-(4-chlorophenyl)-4-[3-(4-fluorophenyl)sulfanylpropyl]piperazine
SMILESFc1ccc(SCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C19H22ClFN2S/c20-16-2-6-18(7-3-16)23-13-11-22(12-14-23)10-1-15-24-19-8-4-17(21)5-9-19/h2-9H,1,10-15H2
InChIKeyQEVFANOTWOZMFN-UHFFFAOYSA-N
MW364.92 g/mol
LogP4.78
Rot. Bonds6

About 1-(4-chlorophenyl)-4-[3-(4-fluorophenyl)sulfanylpropyl]piperazine

1-(4-chlorophenyl)-4-[3-(4-fluorophenyl)sulfanylpropyl]piperazine (PubChem CID 57401820) has the molecular formula C19H22ClFN2S and a molecular weight of 364.92 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[3-(4-fluorophenyl)sulfanylpropyl]piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[3-(4-fluorophenyl)sulfanylpropyl]piperazine
PubChem CID57401820
Molecular FormulaC19H22ClFN2S
Molecular Weight364.92 g/mol
Exact Mass364.12
IUPAC Name1-(4-chlorophenyl)-4-[3-(4-fluorophenyl)sulfanylpropyl]piperazine
SMILESFc1ccc(SCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C19H22ClFN2S/c20-16-2-6-18(7-3-16)23-13-11-22(12-14-23)10-1-15-24-19-8-4-17(21)5-9-19/h2-9H,1,10-15H2
InChIKeyQEVFANOTWOZMFN-UHFFFAOYSA-N
XLogP4.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(3-Chlorophenyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol
CID 260261
1-(4-Chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine
CID 763774
1-[(2-Chlorophenyl)sulfanyl]-3-[4-(4-fluorophenyl)piperazino]-2-propanol
CID 3848199
1-(2-Chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine
CID 23992579
1-Phenyl-4-[2-(phenylthio)ethyl]piperazine
CID 24761524
1-[2-(4-Chlorophenyl)sulfanylphenyl]piperazine;hydrochloride
CID 53237438
1-(4-Chlorophenyl)-4-[3-(4-fluorophenyl)sulfanylpropyl]-1,4-diazepane
CID 57394285
1-(4-Chlorophenyl)-4-[3-(4-fluorophenyl)sulfinylpropyl]piperazine
CID 90644067
1,3-Propanediamine, N-(2-((p-chlorophenyl)thio)ethyl)-N',N'-dimethyl-N-phenyl-
CID 3062348
1-Piperidineacetanilide, N-(2-((p-chlorophenyl)thio)ethyl)-
CID 24842497
1-[4-(4-Chlorophenyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol
CID 260262
1-[(2-Chlorophenyl)sulfanyl]-3-[4-(2-fluorophenyl)piperazino]-2-propanol
CID 4562984

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[3-(4-fluorophenyl)sulfanylpropyl]piperazine?
The IUPAC name of 1-(4-chlorophenyl)-4-[3-(4-fluorophenyl)sulfanylpropyl]piperazine (CID 57401820) is 1-(4-chlorophenyl)-4-[3-(4-fluorophenyl)sulfanylpropyl]piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[3-(4-fluorophenyl)sulfanylpropyl]piperazine?
The canonical SMILES for 1-(4-chlorophenyl)-4-[3-(4-fluorophenyl)sulfanylpropyl]piperazine is Fc1ccc(SCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[3-(4-fluorophenyl)sulfanylpropyl]piperazine?
The InChIKey is QEVFANOTWOZMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2S/c20-16-2-6-18(7-3-16)23-13-11-22(12-14-23)10-1-15-24-19-8-4-17(21)5-9-19/h2-9H,1,10-15H2.
What are the key properties of 1-(4-chlorophenyl)-4-[3-(4-fluorophenyl)sulfanylpropyl]piperazine?
1-(4-chlorophenyl)-4-[3-(4-fluorophenyl)sulfanylpropyl]piperazine has a molecular weight of 364.92 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[3-(4-fluorophenyl)sulfanylpropyl]piperazine is sourced from PubChem (CID 57401820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).