4-[2-(4-fluorophenyl)sulfanylethyl]piperidine

C13H18FNS — CID 18461122

IUPAC4-[2-(4-fluorophenyl)sulfanylethyl]piperidine
SMILESFc1ccc(SCCC2CCNCC2)cc1
InChIInChI=1S/C13H18FNS/c14-12-1-3-13(4-2-12)16-10-7-11-5-8-15-9-6-11/h1-4,11,15H,5-10H2
InChIKeyCQDONNQNAIZIQW-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.31
Rot. Bonds4

About 4-[2-(4-fluorophenyl)sulfanylethyl]piperidine

4-[2-(4-fluorophenyl)sulfanylethyl]piperidine (PubChem CID 18461122) has the molecular formula C13H18FNS and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)sulfanylethyl]piperidine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)sulfanylethyl]piperidine
PubChem CID18461122
Molecular FormulaC13H18FNS
Molecular Weight239.36 g/mol
Exact Mass239.11
IUPAC Name4-[2-(4-fluorophenyl)sulfanylethyl]piperidine
SMILESFc1ccc(SCCC2CCNCC2)cc1
InChIInChI=1S/C13H18FNS/c14-12-1-3-13(4-2-12)16-10-7-11-5-8-15-9-6-11/h1-4,11,15H,5-10H2
InChIKeyCQDONNQNAIZIQW-UHFFFAOYSA-N
XLogP3.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)sulfanylethyl]piperidine?
The IUPAC name of 4-[2-(4-fluorophenyl)sulfanylethyl]piperidine (CID 18461122) is 4-[2-(4-fluorophenyl)sulfanylethyl]piperidine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)sulfanylethyl]piperidine?
The canonical SMILES for 4-[2-(4-fluorophenyl)sulfanylethyl]piperidine is Fc1ccc(SCCC2CCNCC2)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)sulfanylethyl]piperidine?
The InChIKey is CQDONNQNAIZIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNS/c14-12-1-3-13(4-2-12)16-10-7-11-5-8-15-9-6-11/h1-4,11,15H,5-10H2.
What are the key properties of 4-[2-(4-fluorophenyl)sulfanylethyl]piperidine?
4-[2-(4-fluorophenyl)sulfanylethyl]piperidine has a molecular weight of 239.36 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)sulfanylethyl]piperidine is sourced from PubChem (CID 18461122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).