3-(4-ethylsulfanylphenyl)piperidine

C13H19NS — CID 82494383

IUPAC3-(4-ethylsulfanylphenyl)piperidine
SMILESCCSc1ccc(C2CCCNC2)cc1
InChIInChI=1S/C13H19NS/c1-2-15-13-7-5-11(6-8-13)12-4-3-9-14-10-12/h5-8,12,14H,2-4,9-10H2,1H3
InChIKeyRJGWALOAONDNIH-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.27
Rot. Bonds3

About 3-(4-ethylsulfanylphenyl)piperidine

3-(4-ethylsulfanylphenyl)piperidine (PubChem CID 82494383) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 3-(4-ethylsulfanylphenyl)piperidine.

Molecular Properties

Compound Name3-(4-ethylsulfanylphenyl)piperidine
PubChem CID82494383
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name3-(4-ethylsulfanylphenyl)piperidine
SMILESCCSc1ccc(C2CCCNC2)cc1
InChIInChI=1S/C13H19NS/c1-2-15-13-7-5-11(6-8-13)12-4-3-9-14-10-12/h5-8,12,14H,2-4,9-10H2,1H3
InChIKeyRJGWALOAONDNIH-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
4-(4-ethylsulfanylphenyl)piperidine
CID 82494376
3-[(4-ethylsulfanylphenyl)methyl]piperidine
CID 82496706
3-(4-propan-2-ylphenyl)piperidine
CID 58015975
(2R)-2-(4-ethylsulfanylphenyl)piperazine
CID 96847065
3-(4-ethylphenyl)azepane
CID 83819662
(2R)-2-(4-ethylsulfanylphenyl)piperazine;hydrochloride
CID 171194743
N-[(4-piperidin-3-ylphenyl)methyl]ethanamine
CID 116988263
3-(4-tert-butylphenyl)piperidine
CID 24904200
1-[4-[(3S)-piperidin-3-yl]phenyl]ethanol
CID 154574830
3-(4-methoxyphenyl)piperidine
CID 12937920
3-[4-(2,2-dimethylpropyl)phenyl]piperidine
CID 117335235

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylsulfanylphenyl)piperidine?
The IUPAC name of 3-(4-ethylsulfanylphenyl)piperidine (CID 82494383) is 3-(4-ethylsulfanylphenyl)piperidine.
What is the SMILES notation for 3-(4-ethylsulfanylphenyl)piperidine?
The canonical SMILES for 3-(4-ethylsulfanylphenyl)piperidine is CCSc1ccc(C2CCCNC2)cc1.
What is the InChIKey of 3-(4-ethylsulfanylphenyl)piperidine?
The InChIKey is RJGWALOAONDNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-2-15-13-7-5-11(6-8-13)12-4-3-9-14-10-12/h5-8,12,14H,2-4,9-10H2,1H3.
What are the key properties of 3-(4-ethylsulfanylphenyl)piperidine?
3-(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 3-(4-ethylsulfanylphenyl)piperidine is sourced from PubChem (CID 82494383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).