2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]piperidine

C15H23NO2S — CID 117451909

IUPAC2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]piperidine
SMILESCOc1ccc(CC2CCCCN2)c(OC)c1SC
InChIInChI=1S/C15H23NO2S/c1-17-13-8-7-11(14(18-2)15(13)19-3)10-12-6-4-5-9-16-12/h7-8,12,16H,4-6,9-10H2,1-3H3
InChIKeyGJZDKTFKUKZTOA-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.11
Rot. Bonds5

About 2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]piperidine

2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]piperidine (PubChem CID 117451909) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]piperidine.

Molecular Properties

Compound Name2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]piperidine
PubChem CID117451909
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]piperidine
SMILESCOc1ccc(CC2CCCCN2)c(OC)c1SC
InChIInChI=1S/C15H23NO2S/c1-17-13-8-7-11(14(18-2)15(13)19-3)10-12-6-4-5-9-16-12/h7-8,12,16H,4-6,9-10H2,1-3H3
InChIKeyGJZDKTFKUKZTOA-UHFFFAOYSA-N
XLogP3.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]pyrrolidine
CID 117422294
2-[(2,3,6-trimethoxyphenyl)methyl]piperidine
CID 117417665
2-[(6-ethyl-2,3-dimethoxyphenyl)methyl]piperidine
CID 117413480
2-[(7-methoxy-1-benzothiophen-4-yl)methyl]piperidine
CID 117408519
2-[(2,6-dimethoxy-3-methylphenyl)methyl]piperidine
CID 117377139
2-[(2,4-difluoro-3-methoxyphenyl)methyl]piperidine
CID 117355168
3-methoxy-2-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117316525
2-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperidine
CID 117455554
2-[[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine
CID 117422077
2-[(2,3,5-trimethoxyphenyl)methyl]piperidine
CID 117417667
2-[(2,4-dimethoxyphenyl)methyl]piperidine
CID 62800646
2-[(3-bromo-4-methoxy-2-methylphenyl)methyl]pyrrolidine
CID 84812952

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]piperidine?
The IUPAC name of 2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]piperidine (CID 117451909) is 2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]piperidine.
What is the SMILES notation for 2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]piperidine?
The canonical SMILES for 2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]piperidine is COc1ccc(CC2CCCCN2)c(OC)c1SC.
What is the InChIKey of 2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]piperidine?
The InChIKey is GJZDKTFKUKZTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-17-13-8-7-11(14(18-2)15(13)19-3)10-12-6-4-5-9-16-12/h7-8,12,16H,4-6,9-10H2,1-3H3.
What are the key properties of 2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]piperidine?
2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]piperidine has a molecular weight of 281.42 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]piperidine is sourced from PubChem (CID 117451909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).