1-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]piperidine

C15H22ClNOS — CID 2582694

IUPAC1-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]piperidine
SMILESClc1ccc(SCCOCCN2CCCCC2)cc1
InChIInChI=1S/C15H22ClNOS/c16-14-4-6-15(7-5-14)19-13-12-18-11-10-17-8-2-1-3-9-17/h4-7H,1-3,8-13H2
InChIKeyRSWRBALYBXCPPU-UHFFFAOYSA-N
MW299.87 g/mol
LogP3.93
Rot. Bonds7

About 1-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]piperidine

1-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]piperidine (PubChem CID 2582694) has the molecular formula C15H22ClNOS and a molecular weight of 299.87 g/mol. Its IUPAC name is 1-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]piperidine
PubChem CID2582694
Molecular FormulaC15H22ClNOS
Molecular Weight299.87 g/mol
Exact Mass299.11
IUPAC Name1-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]piperidine
SMILESClc1ccc(SCCOCCN2CCCCC2)cc1
InChIInChI=1S/C15H22ClNOS/c16-14-4-6-15(7-5-14)19-13-12-18-11-10-17-8-2-1-3-9-17/h4-7H,1-3,8-13H2
InChIKeyRSWRBALYBXCPPU-UHFFFAOYSA-N
XLogP3.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.87
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]-4-methylpiperazine;oxalic acid
CID 2923533
(2S,6S)-4-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]-2,6-dimethylmorpholine
CID 2182895
1-[3-[3-[3-(4-chlorophenyl)propoxy]propoxy]propyl]piperidine
CID 175675428
1-methyl-4-[2-(2-phenylsulfanylethoxy)ethyl]piperazine
CID 2992878
1-[4-(4-chlorophenyl)sulfanylbutyl]-4-methylpiperazine
CID 2299558
1-[10-(4-chlorophenoxy)decyl]piperidine
CID 70510591
1-[5-(4-chlorophenoxy)pentyl]azepane
CID 127038670
1-(3-phenylsulfanylpropyl)piperidine;hydrochloride
CID 3038686
1-(2-phenylsulfanylethyl)piperidine;hydrochloride
CID 21317512
1-[2-[[2-(4-chlorophenyl)phenyl]methoxy]ethyl]piperidine;hydrochloride
CID 90150517
1-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]piperidine
CID 2245896
1-[3-[(E)-3-(4-chlorophenyl)prop-2-enoxy]propyl]piperidine
CID 175675430

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]piperidine?
The IUPAC name of 1-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]piperidine (CID 2582694) is 1-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]piperidine.
What is the SMILES notation for 1-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]piperidine?
The canonical SMILES for 1-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]piperidine is Clc1ccc(SCCOCCN2CCCCC2)cc1.
What is the InChIKey of 1-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]piperidine?
The InChIKey is RSWRBALYBXCPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNOS/c16-14-4-6-15(7-5-14)19-13-12-18-11-10-17-8-2-1-3-9-17/h4-7H,1-3,8-13H2.
What are the key properties of 1-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]piperidine?
1-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]piperidine has a molecular weight of 299.87 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]piperidine is sourced from PubChem (CID 2582694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).