4-[2-(2,4-dimethylphenyl)sulfanyl-5-fluorophenyl]piperidine

C19H22FNS — CID 11232311

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

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

4-[2-(2,4-dimethylphenyl)sulfanyl-5-fluorophenyl]piperidine (PubChem CID 11232311) has the molecular formula C19H22FNS and a molecular weight of 315.46 g/mol. Its IUPAC name is 4-[2-(2,4-dimethylphenyl)sulfanyl-5-fluorophenyl]piperidine.

Molecular Properties

Compound Name4-[2-(2,4-dimethylphenyl)sulfanyl-5-fluorophenyl]piperidine
PubChem CID11232311
Molecular FormulaC19H22FNS
Molecular Weight315.46 g/mol
Exact Mass315.15
IUPAC Name4-[2-(2,4-dimethylphenyl)sulfanyl-5-fluorophenyl]piperidine
SMILESCc1ccc(Sc2ccc(F)cc2C2CCNCC2)c(C)c1
InChIInChI=1S/C19H22FNS/c1-13-3-5-18(14(2)11-13)22-19-6-4-16(20)12-17(19)15-7-9-21-10-8-15/h3-6,11-12,15,21H,7-10H2,1-2H3
InChIKeyMTCOSUKCYXKFFH-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

Analyze 4-[2-(2,4-dimethylphenyl)sulfanyl-5-fluorophenyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-dimethylphenyl)sulfanyl-5-fluorophenyl]piperidine?
The IUPAC name of 4-[2-(2,4-dimethylphenyl)sulfanyl-5-fluorophenyl]piperidine (CID 11232311) is 4-[2-(2,4-dimethylphenyl)sulfanyl-5-fluorophenyl]piperidine.
What is the SMILES notation for 4-[2-(2,4-dimethylphenyl)sulfanyl-5-fluorophenyl]piperidine?
The canonical SMILES for 4-[2-(2,4-dimethylphenyl)sulfanyl-5-fluorophenyl]piperidine is Cc1ccc(Sc2ccc(F)cc2C2CCNCC2)c(C)c1.
What is the InChIKey of 4-[2-(2,4-dimethylphenyl)sulfanyl-5-fluorophenyl]piperidine?
The InChIKey is MTCOSUKCYXKFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNS/c1-13-3-5-18(14(2)11-13)22-19-6-4-16(20)12-17(19)15-7-9-21-10-8-15/h3-6,11-12,15,21H,7-10H2,1-2H3.
What are the key properties of 4-[2-(2,4-dimethylphenyl)sulfanyl-5-fluorophenyl]piperidine?
4-[2-(2,4-dimethylphenyl)sulfanyl-5-fluorophenyl]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-(2,4-dimethylphenyl)sulfanyl-5-fluorophenyl]piperidine is sourced from PubChem (CID 11232311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).