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

C20H23ClFNS — CID 57394810

IUPAC4-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfanylpropyl]piperidine
SMILESFc1ccc(SCCCN2CCC(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C20H23ClFNS/c21-18-4-2-16(3-5-18)17-10-13-23(14-11-17)12-1-15-24-20-8-6-19(22)7-9-20/h2-9,17H,1,10-15H2
InChIKeyCXHLKGHIDPMPHM-UHFFFAOYSA-N
MW363.93 g/mol
LogP5.84
Rot. Bonds6

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

4-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfanylpropyl]piperidine (PubChem CID 57394810) has the molecular formula C20H23ClFNS and a molecular weight of 363.93 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfanylpropyl]piperidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfanylpropyl]piperidine
PubChem CID57394810
Molecular FormulaC20H23ClFNS
Molecular Weight363.93 g/mol
Exact Mass363.12
IUPAC Name4-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfanylpropyl]piperidine
SMILESFc1ccc(SCCCN2CCC(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C20H23ClFNS/c21-18-4-2-16(3-5-18)17-10-13-23(14-11-17)12-1-15-24-20-8-6-19(22)7-9-20/h2-9,17H,1,10-15H2
InChIKeyCXHLKGHIDPMPHM-UHFFFAOYSA-N
XLogP5.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.93
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-Chlorophenyl)sulfonyl-1-[2-(2,4-difluorophenyl)ethyl]piperidine
CID 11825520
4-Benzyl-1-(2-phenylsulfanyl-ethyl)-piperidine
CID 12045832
4-[Bis(4-fluorophenyl)methyl]-1-(3-phenylsulfanylpropyl)piperidine
CID 15093877
4-(4-Chlorophenyl)-1-[3-(4-fluorophenyl)sulfinylpropyl]piperidine
CID 57391306
Piperidine, 4-(2-chloro-6-fluoro-9H-thioxanthen-9-ylidene)-1-methyl-
CID 3056862
4-Benzyl-1-(3-phenylsulfanyl-propyl)-piperidine
CID 12045491
4-[(4-Chlorothiophen-2-yl)-(4-fluorophenyl)methylidene]-1-methylpiperidine
CID 9927142
3-(4-Chlorophenyl)-1,3-dihydro-1'-methylspiro[benzo(c)thiophene-1,4'-piperidine]
CID 12694077
Piperidine, 1-(3-(p-chlorophenyl)-3-(phenylthio)propyl)-, hydrochloride
CID 3062940
4-[2-(2-Chloro-4-fluorophenyl)sulfanylphenyl]piperidine
CID 11151402
4-[2-(2-Chlorophenyl)sulfanyl-5-fluorophenyl]piperidine
CID 11151403
4-[2-(2-Chloro-4-fluorophenyl)sulfanyl-4-fluorophenyl]piperidine
CID 11163593

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfanylpropyl]piperidine?
The IUPAC name of 4-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfanylpropyl]piperidine (CID 57394810) is 4-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfanylpropyl]piperidine.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfanylpropyl]piperidine?
The canonical SMILES for 4-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfanylpropyl]piperidine is Fc1ccc(SCCCN2CCC(c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfanylpropyl]piperidine?
The InChIKey is CXHLKGHIDPMPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFNS/c21-18-4-2-16(3-5-18)17-10-13-23(14-11-17)12-1-15-24-20-8-6-19(22)7-9-20/h2-9,17H,1,10-15H2.
What are the key properties of 4-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfanylpropyl]piperidine?
4-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfanylpropyl]piperidine has a molecular weight of 363.93 g/mol, XLogP of 5.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfanylpropyl]piperidine is sourced from PubChem (CID 57394810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).