4-[2-(4-bromo-2-fluorophenyl)sulfanyl-5-fluorophenyl]piperidine

C17H16BrF2NS — CID 11292043

IUPAC4-[2-(4-bromo-2-fluorophenyl)sulfanyl-5-fluorophenyl]piperidine
SMILESFc1ccc(Sc2ccc(Br)cc2F)c(C2CCNCC2)c1
InChIInChI=1S/C17H16BrF2NS/c18-12-1-3-17(15(20)9-12)22-16-4-2-13(19)10-14(16)11-5-7-21-8-6-11/h1-4,9-11,21H,5-8H2
InChIKeyRYIDRGSUSSZWBR-UHFFFAOYSA-N
MW384.29 g/mol
LogP5.35
Rot. Bonds3

About 4-[2-(4-bromo-2-fluorophenyl)sulfanyl-5-fluorophenyl]piperidine

4-[2-(4-bromo-2-fluorophenyl)sulfanyl-5-fluorophenyl]piperidine (PubChem CID 11292043) has the molecular formula C17H16BrF2NS and a molecular weight of 384.29 g/mol. Its IUPAC name is 4-[2-(4-bromo-2-fluorophenyl)sulfanyl-5-fluorophenyl]piperidine.

Molecular Properties

Compound Name4-[2-(4-bromo-2-fluorophenyl)sulfanyl-5-fluorophenyl]piperidine
PubChem CID11292043
Molecular FormulaC17H16BrF2NS
Molecular Weight384.29 g/mol
Exact Mass383.02
IUPAC Name4-[2-(4-bromo-2-fluorophenyl)sulfanyl-5-fluorophenyl]piperidine
SMILESFc1ccc(Sc2ccc(Br)cc2F)c(C2CCNCC2)c1
InChIInChI=1S/C17H16BrF2NS/c18-12-1-3-17(15(20)9-12)22-16-4-2-13(19)10-14(16)11-5-7-21-8-6-11/h1-4,9-11,21H,5-8H2
InChIKeyRYIDRGSUSSZWBR-UHFFFAOYSA-N
XLogP5.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.29
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-4-(4-fluorophenyl)-3-(phenylsulfanylmethyl)piperidine
CID 44447601
4-[5-Fluoro-2-(2-fluorophenyl)sulfanylphenyl]piperidine
CID 11162536
4-[2-(2,4-Difluorophenyl)sulfanyl-5-fluorophenyl]piperidine
CID 11174710
4-[2-(2-Bromo-4-fluorophenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine
CID 11176380
4-(5-Fluoro-2-phenylsulfanylphenyl)piperidine
CID 11185311
4-[4-Fluoro-2-(2-methylphenyl)sulfanylphenyl]piperidine
CID 11185706
4-[2-[4-(Trifluoromethyl)phenyl]sulfanylphenyl]piperidine
CID 11186763
4-[5-Fluoro-2-(4-fluorophenyl)sulfanylphenyl]piperidine
CID 11197511
4-[2-(2,4-Difluorophenyl)sulfanyl-6-fluorophenyl]piperidine
CID 11232540
4-[4-Fluoro-2-(4-methylphenyl)sulfanylphenyl]piperidine
CID 11243552
4-[2-Fluoro-6-(3-methylphenyl)sulfanylphenyl]piperidine
CID 11243553
4-[2-(4-Bromo-2-fluorophenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine
CID 11245450

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromo-2-fluorophenyl)sulfanyl-5-fluorophenyl]piperidine?
The IUPAC name of 4-[2-(4-bromo-2-fluorophenyl)sulfanyl-5-fluorophenyl]piperidine (CID 11292043) is 4-[2-(4-bromo-2-fluorophenyl)sulfanyl-5-fluorophenyl]piperidine.
What is the SMILES notation for 4-[2-(4-bromo-2-fluorophenyl)sulfanyl-5-fluorophenyl]piperidine?
The canonical SMILES for 4-[2-(4-bromo-2-fluorophenyl)sulfanyl-5-fluorophenyl]piperidine is Fc1ccc(Sc2ccc(Br)cc2F)c(C2CCNCC2)c1.
What is the InChIKey of 4-[2-(4-bromo-2-fluorophenyl)sulfanyl-5-fluorophenyl]piperidine?
The InChIKey is RYIDRGSUSSZWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrF2NS/c18-12-1-3-17(15(20)9-12)22-16-4-2-13(19)10-14(16)11-5-7-21-8-6-11/h1-4,9-11,21H,5-8H2.
What are the key properties of 4-[2-(4-bromo-2-fluorophenyl)sulfanyl-5-fluorophenyl]piperidine?
4-[2-(4-bromo-2-fluorophenyl)sulfanyl-5-fluorophenyl]piperidine has a molecular weight of 384.29 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromo-2-fluorophenyl)sulfanyl-5-fluorophenyl]piperidine is sourced from PubChem (CID 11292043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).