4-(4-ethylsulfanylphenyl)piperidine

C13H19NS — CID 82494376

IUPAC4-(4-ethylsulfanylphenyl)piperidine
SMILESCCSc1ccc(C2CCNCC2)cc1
InChIInChI=1S/C13H19NS/c1-2-15-13-5-3-11(4-6-13)12-7-9-14-10-8-12/h3-6,12,14H,2,7-10H2,1H3
InChIKeyOUTAPRAXSIVEJB-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.27
Rot. Bonds3

About 4-(4-ethylsulfanylphenyl)piperidine

4-(4-ethylsulfanylphenyl)piperidine (PubChem CID 82494376) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 4-(4-ethylsulfanylphenyl)piperidine.

Molecular Properties

Compound Name4-(4-ethylsulfanylphenyl)piperidine
PubChem CID82494376
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name4-(4-ethylsulfanylphenyl)piperidine
SMILESCCSc1ccc(C2CCNCC2)cc1
InChIInChI=1S/C13H19NS/c1-2-15-13-5-3-11(4-6-13)12-7-9-14-10-8-12/h3-6,12,14H,2,7-10H2,1H3
InChIKeyOUTAPRAXSIVEJB-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-ethylsulfanylphenyl)pyrrolidine
CID 82492447
3-(4-ethylsulfanylphenyl)piperidine
CID 82494383
4-(4-ethoxyphenyl)piperidine
CID 21495191
(2R)-2-(4-ethylsulfanylphenyl)piperazine
CID 96847065
ethane;4-(4-fluorophenyl)piperidine
CID 144692128
ethane;4-(4-methylphenyl)piperidine
CID 145467036
(2R)-2-(4-ethylsulfanylphenyl)piperazine;hydrochloride
CID 171194743
4-(4-chlorophenyl)piperidine;ethane
CID 143751340
potassium 4-piperidin-4-ylphenolate
CID 143791971
4-[4-(2-methylphenyl)sulfanylphenyl]piperidine;hydrobromide
CID 67144595
(4-piperidin-4-ylphenyl)methanethiol
CID 116988080
4-[4-(oxetan-3-yl)phenyl]piperidine
CID 83836156

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylsulfanylphenyl)piperidine?
The IUPAC name of 4-(4-ethylsulfanylphenyl)piperidine (CID 82494376) is 4-(4-ethylsulfanylphenyl)piperidine.
What is the SMILES notation for 4-(4-ethylsulfanylphenyl)piperidine?
The canonical SMILES for 4-(4-ethylsulfanylphenyl)piperidine is CCSc1ccc(C2CCNCC2)cc1.
What is the InChIKey of 4-(4-ethylsulfanylphenyl)piperidine?
The InChIKey is OUTAPRAXSIVEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-2-15-13-5-3-11(4-6-13)12-7-9-14-10-8-12/h3-6,12,14H,2,7-10H2,1H3.
What are the key properties of 4-(4-ethylsulfanylphenyl)piperidine?
4-(4-ethylsulfanylphenyl)piperidine has a molecular weight of 221.37 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylsulfanylphenyl)piperidine is sourced from PubChem (CID 82494376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).