4-(5-fluoro-2-phenylsulfanylphenyl)piperidine

C17H18FNS — CID 11185311

IUPAC4-(5-fluoro-2-phenylsulfanylphenyl)piperidine
SMILESFc1ccc(Sc2ccccc2)c(C2CCNCC2)c1
InChIInChI=1S/C17H18FNS/c18-14-6-7-17(20-15-4-2-1-3-5-15)16(12-14)13-8-10-19-11-9-13/h1-7,12-13,19H,8-11H2
InChIKeyAQXQMFMKHJDRAC-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.44
Rot. Bonds3

About 4-(5-fluoro-2-phenylsulfanylphenyl)piperidine

4-(5-fluoro-2-phenylsulfanylphenyl)piperidine (PubChem CID 11185311) has the molecular formula C17H18FNS and a molecular weight of 287.40 g/mol. Its IUPAC name is 4-(5-fluoro-2-phenylsulfanylphenyl)piperidine.

Molecular Properties

Compound Name4-(5-fluoro-2-phenylsulfanylphenyl)piperidine
PubChem CID11185311
Molecular FormulaC17H18FNS
Molecular Weight287.40 g/mol
Exact Mass287.11
IUPAC Name4-(5-fluoro-2-phenylsulfanylphenyl)piperidine
SMILESFc1ccc(Sc2ccccc2)c(C2CCNCC2)c1
InChIInChI=1S/C17H18FNS/c18-14-6-7-17(20-15-4-2-1-3-5-15)16(12-14)13-8-10-19-11-9-13/h1-7,12-13,19H,8-11H2
InChIKeyAQXQMFMKHJDRAC-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-phenylsulfanylphenyl)piperidine?
The IUPAC name of 4-(5-fluoro-2-phenylsulfanylphenyl)piperidine (CID 11185311) is 4-(5-fluoro-2-phenylsulfanylphenyl)piperidine.
What is the SMILES notation for 4-(5-fluoro-2-phenylsulfanylphenyl)piperidine?
The canonical SMILES for 4-(5-fluoro-2-phenylsulfanylphenyl)piperidine is Fc1ccc(Sc2ccccc2)c(C2CCNCC2)c1.
What is the InChIKey of 4-(5-fluoro-2-phenylsulfanylphenyl)piperidine?
The InChIKey is AQXQMFMKHJDRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNS/c18-14-6-7-17(20-15-4-2-1-3-5-15)16(12-14)13-8-10-19-11-9-13/h1-7,12-13,19H,8-11H2.
What are the key properties of 4-(5-fluoro-2-phenylsulfanylphenyl)piperidine?
4-(5-fluoro-2-phenylsulfanylphenyl)piperidine has a molecular weight of 287.40 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-phenylsulfanylphenyl)piperidine is sourced from PubChem (CID 11185311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).