4-[1-(3,4-dichlorophenyl)-2-ethylsulfanylethyl]piperidine;hydrochloride

C15H22Cl3NS — CID 71727760

IUPAC4-[1-(3,4-dichlorophenyl)-2-ethylsulfanylethyl]piperidine;hydrochloride
SMILESCCSCC(c1ccc(Cl)c(Cl)c1)C1CCNCC1.Cl
InChIInChI=1S/C15H21Cl2NS.ClH/c1-2-19-10-13(11-5-7-18-8-6-11)12-3-4-14(16)15(17)9-12;/h3-4,9,11,13,18H,2,5-8,10H2,1H3;1H
InChIKeyYLCDOWWZEWUKRA-UHFFFAOYSA-N
MW354.77 g/mol
LogP5.25
Rot. Bonds5

About 4-[1-(3,4-dichlorophenyl)-2-ethylsulfanylethyl]piperidine;hydrochloride

4-[1-(3,4-dichlorophenyl)-2-ethylsulfanylethyl]piperidine;hydrochloride (PubChem CID 71727760) has the molecular formula C15H22Cl3NS and a molecular weight of 354.77 g/mol. Its IUPAC name is 4-[1-(3,4-dichlorophenyl)-2-ethylsulfanylethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[1-(3,4-dichlorophenyl)-2-ethylsulfanylethyl]piperidine;hydrochloride
PubChem CID71727760
Molecular FormulaC15H22Cl3NS
Molecular Weight354.77 g/mol
Exact Mass353.05
IUPAC Name4-[1-(3,4-dichlorophenyl)-2-ethylsulfanylethyl]piperidine;hydrochloride
SMILESCCSCC(c1ccc(Cl)c(Cl)c1)C1CCNCC1.Cl
InChIInChI=1S/C15H21Cl2NS.ClH/c1-2-19-10-13(11-5-7-18-8-6-11)12-3-4-14(16)15(17)9-12;/h3-4,9,11,13,18H,2,5-8,10H2,1H3;1H
InChIKeyYLCDOWWZEWUKRA-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.77
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(RS/SR)-2-[1-(3,4-dichlorophenyl)butyl]piperidine
CID 16102764
(1S,5S,6S)-1-(3,4-dichlorophenyl)-6-(methylsulfanylmethyl)-3-azabicyclo[3.1.0]hexane
CID 45380181
(RR/SS)-2-[1-(3,4-dichlorophenyl)-3-methylbutyl]-piperidine
CID 16102766
(1R,5R,6R)-1-(3,4-dichlorophenyl)-6-(methylsulfanylmethyl)-3-azabicyclo[3.1.0]hexane
CID 45380182
N-((1-(3,4-dichlorophenyl)cyclohexyl)methyl)ethanamine
CID 53322397
4-[1-(3,4-Dichlorophenyl)-2-methylsulfanylethyl]piperidine;hydrochloride
CID 71727758
4-[1-(3,4-Dichlorophenyl)-2-methylsulfonylethyl]piperidine;hydrochloride
CID 71727762
(RR/SS)-2-[1-(3,4-dichlorophenyl)pentyl]piperidine
CID 16102765
2-[4-(4-Chloro-phenyl)-piperidin-3-ylmethylsulfanyl]-acetamide
CID 44398193
(2R)-2-(3,4-dichlorophenyl)-N-methyl-1-oxothiane-2-carbothioamide
CID 45266367
4-[1-(3,4-Dichlorophenyl)ethyl]piperidine;hydrochloride
CID 71727648
1-[1-(3,4-dichlorophenyl)cyclobutyl]-N-(4-ethylsulfanylbutyl)-3-methylbutan-1-amine
CID 89928748

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,4-dichlorophenyl)-2-ethylsulfanylethyl]piperidine;hydrochloride?
The IUPAC name of 4-[1-(3,4-dichlorophenyl)-2-ethylsulfanylethyl]piperidine;hydrochloride (CID 71727760) is 4-[1-(3,4-dichlorophenyl)-2-ethylsulfanylethyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[1-(3,4-dichlorophenyl)-2-ethylsulfanylethyl]piperidine;hydrochloride?
The canonical SMILES for 4-[1-(3,4-dichlorophenyl)-2-ethylsulfanylethyl]piperidine;hydrochloride is CCSCC(c1ccc(Cl)c(Cl)c1)C1CCNCC1.Cl.
What is the InChIKey of 4-[1-(3,4-dichlorophenyl)-2-ethylsulfanylethyl]piperidine;hydrochloride?
The InChIKey is YLCDOWWZEWUKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NS.ClH/c1-2-19-10-13(11-5-7-18-8-6-11)12-3-4-14(16)15(17)9-12;/h3-4,9,11,13,18H,2,5-8,10H2,1H3;1H.
What are the key properties of 4-[1-(3,4-dichlorophenyl)-2-ethylsulfanylethyl]piperidine;hydrochloride?
4-[1-(3,4-dichlorophenyl)-2-ethylsulfanylethyl]piperidine;hydrochloride has a molecular weight of 354.77 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,4-dichlorophenyl)-2-ethylsulfanylethyl]piperidine;hydrochloride is sourced from PubChem (CID 71727760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).