4-[2-(2,6-dichlorophenyl)sulfanylethyl]piperidine;hydrochloride

C13H18Cl3NS — CID 72716656

IUPAC4-[2-(2,6-dichlorophenyl)sulfanylethyl]piperidine;hydrochloride
SMILESCl.Clc1cccc(Cl)c1SCCC1CCNCC1
InChIInChI=1S/C13H17Cl2NS.ClH/c14-11-2-1-3-12(15)13(11)17-9-6-10-4-7-16-8-5-10;/h1-3,10,16H,4-9H2;1H
InChIKeySDFUVNWRVQYCMK-UHFFFAOYSA-N
MW326.72 g/mol
LogP4.90
Rot. Bonds4

About 4-[2-(2,6-dichlorophenyl)sulfanylethyl]piperidine;hydrochloride

4-[2-(2,6-dichlorophenyl)sulfanylethyl]piperidine;hydrochloride (PubChem CID 72716656) has the molecular formula C13H18Cl3NS and a molecular weight of 326.72 g/mol. Its IUPAC name is 4-[2-(2,6-dichlorophenyl)sulfanylethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[2-(2,6-dichlorophenyl)sulfanylethyl]piperidine;hydrochloride
PubChem CID72716656
Molecular FormulaC13H18Cl3NS
Molecular Weight326.72 g/mol
Exact Mass325.02
IUPAC Name4-[2-(2,6-dichlorophenyl)sulfanylethyl]piperidine;hydrochloride
SMILESCl.Clc1cccc(Cl)c1SCCC1CCNCC1
InChIInChI=1S/C13H17Cl2NS.ClH/c14-11-2-1-3-12(15)13(11)17-9-6-10-4-7-16-8-5-10;/h1-3,10,16H,4-9H2;1H
InChIKeySDFUVNWRVQYCMK-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.72
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(3,5-dichlorophenyl)sulfanylethyl]piperidine
CID 112736334
(2S)-2-[2-(2,6-dichlorophenyl)sulfanylethyl]piperidine
CID 97301377
(3R)-3-[(2,6-dichlorophenyl)sulfanylmethyl]piperidine
CID 96879943
N-(2,6-dichlorophenyl)-3-piperidin-4-ylpropanamide
CID 65468978
4-methyl-2-(2-piperidin-4-ylethylsulfanyl)pyrimidine;hydrochloride
CID 72716663
4-[2-(2-nitrophenyl)sulfanylethyl]piperidine
CID 105061299
2-(2-piperidin-4-ylethylsulfanyl)pyrimidine-4,6-diamine
CID 105061330
5-bromo-2-(2-piperidin-4-ylethylsulfanyl)pyridine
CID 105061357
3-[(2-chlorophenyl)sulfanylmethyl]pyrrolidine
CID 62370752
3-(2-piperidin-4-ylethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 105061340
1-(2,3-dichlorophenyl)-4-(2-piperidin-4-ylethyl)piperazine
CID 68811205
4-[2-(2,4-dichloronaphthalen-1-yl)oxyethyl]piperidine;hydrochloride
CID 53410049

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,6-dichlorophenyl)sulfanylethyl]piperidine;hydrochloride?
The IUPAC name of 4-[2-(2,6-dichlorophenyl)sulfanylethyl]piperidine;hydrochloride (CID 72716656) is 4-[2-(2,6-dichlorophenyl)sulfanylethyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[2-(2,6-dichlorophenyl)sulfanylethyl]piperidine;hydrochloride?
The canonical SMILES for 4-[2-(2,6-dichlorophenyl)sulfanylethyl]piperidine;hydrochloride is Cl.Clc1cccc(Cl)c1SCCC1CCNCC1.
What is the InChIKey of 4-[2-(2,6-dichlorophenyl)sulfanylethyl]piperidine;hydrochloride?
The InChIKey is SDFUVNWRVQYCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NS.ClH/c14-11-2-1-3-12(15)13(11)17-9-6-10-4-7-16-8-5-10;/h1-3,10,16H,4-9H2;1H.
What are the key properties of 4-[2-(2,6-dichlorophenyl)sulfanylethyl]piperidine;hydrochloride?
4-[2-(2,6-dichlorophenyl)sulfanylethyl]piperidine;hydrochloride has a molecular weight of 326.72 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,6-dichlorophenyl)sulfanylethyl]piperidine;hydrochloride is sourced from PubChem (CID 72716656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).