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

C13H19ClFNS — CID 72716584

IUPAC2-[2-(4-fluorophenyl)sulfanylethyl]piperidine;hydrochloride
SMILESCl.Fc1ccc(SCCC2CCCCN2)cc1
InChIInChI=1S/C13H18FNS.ClH/c14-11-4-6-13(7-5-11)16-10-8-12-3-1-2-9-15-12;/h4-7,12,15H,1-3,8-10H2;1H
InChIKeyUUUXFERVAJPUPH-UHFFFAOYSA-N
MW275.82 g/mol
LogP3.87
Rot. Bonds4

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

2-[2-(4-fluorophenyl)sulfanylethyl]piperidine;hydrochloride (PubChem CID 72716584) has the molecular formula C13H19ClFNS and a molecular weight of 275.82 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)sulfanylethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)sulfanylethyl]piperidine;hydrochloride
PubChem CID72716584
Molecular FormulaC13H19ClFNS
Molecular Weight275.82 g/mol
Exact Mass275.09
IUPAC Name2-[2-(4-fluorophenyl)sulfanylethyl]piperidine;hydrochloride
SMILESCl.Fc1ccc(SCCC2CCCCN2)cc1
InChIInChI=1S/C13H18FNS.ClH/c14-11-4-6-13(7-5-11)16-10-8-12-3-1-2-9-15-12;/h4-7,12,15H,1-3,8-10H2;1H
InChIKeyUUUXFERVAJPUPH-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.82
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4,6-dimethyl-2-(2-piperidin-2-ylethylsulfanyl)pyrimidine;hydrochloride
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4-ethylsulfanyl-N-(2-piperidin-2-ylethyl)aniline
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3-(2-pyrrolidin-2-ylethylsulfanyl)phenol
CID 84688729
(4-fluorophenyl)-[4-(2-piperidin-2-ylethoxy)phenyl]methanone;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)sulfanylethyl]piperidine;hydrochloride?
The IUPAC name of 2-[2-(4-fluorophenyl)sulfanylethyl]piperidine;hydrochloride (CID 72716584) is 2-[2-(4-fluorophenyl)sulfanylethyl]piperidine;hydrochloride.
What is the SMILES notation for 2-[2-(4-fluorophenyl)sulfanylethyl]piperidine;hydrochloride?
The canonical SMILES for 2-[2-(4-fluorophenyl)sulfanylethyl]piperidine;hydrochloride is Cl.Fc1ccc(SCCC2CCCCN2)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)sulfanylethyl]piperidine;hydrochloride?
The InChIKey is UUUXFERVAJPUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNS.ClH/c14-11-4-6-13(7-5-11)16-10-8-12-3-1-2-9-15-12;/h4-7,12,15H,1-3,8-10H2;1H.
What are the key properties of 2-[2-(4-fluorophenyl)sulfanylethyl]piperidine;hydrochloride?
2-[2-(4-fluorophenyl)sulfanylethyl]piperidine;hydrochloride has a molecular weight of 275.82 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)sulfanylethyl]piperidine;hydrochloride is sourced from PubChem (CID 72716584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).