4-[2-(2-fluoro-4-methylphenyl)sulfanyl-5-methylphenyl]piperidine

C19H22FNS — CID 11313084

IUPAC4-[2-(2-fluoro-4-methylphenyl)sulfanyl-5-methylphenyl]piperidine
SMILESCc1ccc(Sc2ccc(C)cc2C2CCNCC2)c(F)c1
InChIInChI=1S/C19H22FNS/c1-13-3-5-18(16(11-13)15-7-9-21-10-8-15)22-19-6-4-14(2)12-17(19)20/h3-6,11-12,15,21H,7-10H2,1-2H3
InChIKeyRZHUKLPCIGCYLL-UHFFFAOYSA-N
MW315.46 g/mol
LogP5.06
Rot. Bonds3

About 4-[2-(2-fluoro-4-methylphenyl)sulfanyl-5-methylphenyl]piperidine

4-[2-(2-fluoro-4-methylphenyl)sulfanyl-5-methylphenyl]piperidine (PubChem CID 11313084) has the molecular formula C19H22FNS and a molecular weight of 315.46 g/mol. Its IUPAC name is 4-[2-(2-fluoro-4-methylphenyl)sulfanyl-5-methylphenyl]piperidine.

Molecular Properties

Compound Name4-[2-(2-fluoro-4-methylphenyl)sulfanyl-5-methylphenyl]piperidine
PubChem CID11313084
Molecular FormulaC19H22FNS
Molecular Weight315.46 g/mol
Exact Mass315.15
IUPAC Name4-[2-(2-fluoro-4-methylphenyl)sulfanyl-5-methylphenyl]piperidine
SMILESCc1ccc(Sc2ccc(C)cc2C2CCNCC2)c(F)c1
InChIInChI=1S/C19H22FNS/c1-13-3-5-18(16(11-13)15-7-9-21-10-8-15)22-19-6-4-14(2)12-17(19)20/h3-6,11-12,15,21H,7-10H2,1-2H3
InChIKeyRZHUKLPCIGCYLL-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.46
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluoro-4-methylphenyl)sulfanyl-5-methylphenyl]piperidine?
The IUPAC name of 4-[2-(2-fluoro-4-methylphenyl)sulfanyl-5-methylphenyl]piperidine (CID 11313084) is 4-[2-(2-fluoro-4-methylphenyl)sulfanyl-5-methylphenyl]piperidine.
What is the SMILES notation for 4-[2-(2-fluoro-4-methylphenyl)sulfanyl-5-methylphenyl]piperidine?
The canonical SMILES for 4-[2-(2-fluoro-4-methylphenyl)sulfanyl-5-methylphenyl]piperidine is Cc1ccc(Sc2ccc(C)cc2C2CCNCC2)c(F)c1.
What is the InChIKey of 4-[2-(2-fluoro-4-methylphenyl)sulfanyl-5-methylphenyl]piperidine?
The InChIKey is RZHUKLPCIGCYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNS/c1-13-3-5-18(16(11-13)15-7-9-21-10-8-15)22-19-6-4-14(2)12-17(19)20/h3-6,11-12,15,21H,7-10H2,1-2H3.
What are the key properties of 4-[2-(2-fluoro-4-methylphenyl)sulfanyl-5-methylphenyl]piperidine?
4-[2-(2-fluoro-4-methylphenyl)sulfanyl-5-methylphenyl]piperidine has a molecular weight of 315.46 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluoro-4-methylphenyl)sulfanyl-5-methylphenyl]piperidine is sourced from PubChem (CID 11313084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).