2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)piperidine

C15H23NOS — CID 117418158

IUPAC2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)piperidine
SMILESCCc1cc(OC)c(C2CCCCN2)cc1SC
InChIInChI=1S/C15H23NOS/c1-4-11-9-14(17-2)12(10-15(11)18-3)13-7-5-6-8-16-13/h9-10,13,16H,4-8H2,1-3H3
InChIKeySAFGBLUUABJRKX-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.79
Rot. Bonds4

About 2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)piperidine

2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)piperidine (PubChem CID 117418158) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)piperidine.

Molecular Properties

Compound Name2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)piperidine
PubChem CID117418158
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)piperidine
SMILESCCc1cc(OC)c(C2CCCCN2)cc1SC
InChIInChI=1S/C15H23NOS/c1-4-11-9-14(17-2)12(10-15(11)18-3)13-7-5-6-8-16-13/h9-10,13,16H,4-8H2,1-3H3
InChIKeySAFGBLUUABJRKX-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4,5-trimethoxyphenyl)azepane
CID 62543409
2-(2,5-dimethoxy-4-propan-2-ylphenyl)piperidine
CID 117413709
2-[4-(fluoromethyl)-2,5-dimethoxyphenyl]pyrrolidine
CID 84701260
(2S)-2-(4-fluoro-2-methoxyphenyl)piperidine
CID 96773994
2-(5-bromo-2-fluoro-4-methoxyphenyl)piperidine
CID 84814359
(2S)-2-(2,4-dimethoxyphenyl)piperidine
CID 7022848
2-[2-(fluoromethyl)-4,5-dimethoxyphenyl]pyrrolidine
CID 84701267
2-(2-fluoro-5-methoxy-4-methylphenyl)piperidine
CID 84789182
2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]pyrrolidine
CID 117381690
(2R)-2-(2,4-dimethoxyphenyl)piperidine;hydrochloride
CID 171195361
2-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]piperidine
CID 117451731
(2S)-2-(2-bromo-4,5-dimethoxyphenyl)pyrrolidine;hydrochloride
CID 171196222

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)piperidine?
The IUPAC name of 2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)piperidine (CID 117418158) is 2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)piperidine.
What is the SMILES notation for 2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)piperidine?
The canonical SMILES for 2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)piperidine is CCc1cc(OC)c(C2CCCCN2)cc1SC.
What is the InChIKey of 2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)piperidine?
The InChIKey is SAFGBLUUABJRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-4-11-9-14(17-2)12(10-15(11)18-3)13-7-5-6-8-16-13/h9-10,13,16H,4-8H2,1-3H3.
What are the key properties of 2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)piperidine?
2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)piperidine has a molecular weight of 265.42 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)piperidine is sourced from PubChem (CID 117418158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).