4-[2-(3,5-dichlorophenyl)sulfanylethyl]piperidine

C13H17Cl2NS — CID 112736334

IUPAC4-[2-(3,5-dichlorophenyl)sulfanylethyl]piperidine
SMILESClc1cc(Cl)cc(SCCC2CCNCC2)c1
InChIInChI=1S/C13H17Cl2NS/c14-11-7-12(15)9-13(8-11)17-6-3-10-1-4-16-5-2-10/h7-10,16H,1-6H2
InChIKeyRLRGIBOLCCGINM-UHFFFAOYSA-N
MW290.26 g/mol
LogP4.48
Rot. Bonds4

About 4-[2-(3,5-dichlorophenyl)sulfanylethyl]piperidine

4-[2-(3,5-dichlorophenyl)sulfanylethyl]piperidine (PubChem CID 112736334) has the molecular formula C13H17Cl2NS and a molecular weight of 290.26 g/mol. Its IUPAC name is 4-[2-(3,5-dichlorophenyl)sulfanylethyl]piperidine.

Molecular Properties

Compound Name4-[2-(3,5-dichlorophenyl)sulfanylethyl]piperidine
PubChem CID112736334
Molecular FormulaC13H17Cl2NS
Molecular Weight290.26 g/mol
Exact Mass289.05
IUPAC Name4-[2-(3,5-dichlorophenyl)sulfanylethyl]piperidine
SMILESClc1cc(Cl)cc(SCCC2CCNCC2)c1
InChIInChI=1S/C13H17Cl2NS/c14-11-7-12(15)9-13(8-11)17-6-3-10-1-4-16-5-2-10/h7-10,16H,1-6H2
InChIKeyRLRGIBOLCCGINM-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.26
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(2,6-dichlorophenyl)sulfanylethyl]piperidine;hydrochloride
CID 72716656
2-(2-piperidin-4-ylethylsulfanyl)pyrimidine-4,6-diamine
CID 105061330
4-[2-(2,4,5-trichlorophenoxy)ethyl]piperidine
CID 56830089
5-chloro-2-(2-piperidin-4-ylethoxy)pyrimidine
CID 71640164
5-bromo-2-(2-piperidin-4-ylethylsulfanyl)pyridine
CID 105061357
N-[(3,5-dichlorophenyl)methyl]-N-methyl-3-piperidin-4-ylpropanamide
CID 62211961
3-(3,5-dichlorophenyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 104880665
2-methylsulfanyl-5-(2-piperidin-4-ylethylsulfanyl)-1,3,4-thiadiazole
CID 105061392
4-methyl-2-(2-piperidin-4-ylethylsulfanyl)pyrimidine;hydrochloride
CID 72716663
4-[2-(2-nitrophenyl)sulfanylethyl]piperidine
CID 105061299
4-[2-(2-methoxyethylsulfanyl)ethyl]piperidine
CID 105061300
2-(2-piperidin-4-ylethylsulfanyl)ethanamine
CID 105061316

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dichlorophenyl)sulfanylethyl]piperidine?
The IUPAC name of 4-[2-(3,5-dichlorophenyl)sulfanylethyl]piperidine (CID 112736334) is 4-[2-(3,5-dichlorophenyl)sulfanylethyl]piperidine.
What is the SMILES notation for 4-[2-(3,5-dichlorophenyl)sulfanylethyl]piperidine?
The canonical SMILES for 4-[2-(3,5-dichlorophenyl)sulfanylethyl]piperidine is Clc1cc(Cl)cc(SCCC2CCNCC2)c1.
What is the InChIKey of 4-[2-(3,5-dichlorophenyl)sulfanylethyl]piperidine?
The InChIKey is RLRGIBOLCCGINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NS/c14-11-7-12(15)9-13(8-11)17-6-3-10-1-4-16-5-2-10/h7-10,16H,1-6H2.
What are the key properties of 4-[2-(3,5-dichlorophenyl)sulfanylethyl]piperidine?
4-[2-(3,5-dichlorophenyl)sulfanylethyl]piperidine has a molecular weight of 290.26 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dichlorophenyl)sulfanylethyl]piperidine is sourced from PubChem (CID 112736334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).