3-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine

C14H21NO2S — CID 117422244

IUPAC3-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine
SMILESCOc1ccc(C2CCCNC2)c(OC)c1SC
InChIInChI=1S/C14H21NO2S/c1-16-12-7-6-11(10-5-4-8-15-9-10)13(17-2)14(12)18-3/h6-7,10,15H,4-5,8-9H2,1-3H3
InChIKeyZNCLGLOXNAPKGP-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.89
Rot. Bonds4

About 3-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine

3-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine (PubChem CID 117422244) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 3-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine.

Molecular Properties

Compound Name3-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine
PubChem CID117422244
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name3-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine
SMILESCOc1ccc(C2CCCNC2)c(OC)c1SC
InChIInChI=1S/C14H21NO2S/c1-16-12-7-6-11(10-5-4-8-15-9-10)13(17-2)14(12)18-3/h6-7,10,15H,4-5,8-9H2,1-3H3
InChIKeyZNCLGLOXNAPKGP-UHFFFAOYSA-N
XLogP2.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dimethoxy-3-methylsulfanylphenyl)pyrrolidine
CID 117386712
4-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine
CID 117422234
3-(2-chloro-3,4-dimethoxyphenyl)piperidine
CID 117392621
(3S)-3-(2,3-difluoro-4-methoxyphenyl)piperidine
CID 99945848
4-(2,4-dimethoxy-3-methylphenyl)azepane
CID 82297126
2-methoxy-3-piperidin-3-ylaniline
CID 174616983
3-(2-cyclobutyloxy-3-methoxyphenyl)piperidine
CID 117408157
3-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)piperidine
CID 117463652
3-(3-bromo-2-methoxy-4-methylphenyl)piperidine
CID 115004613
4,7-dimethoxy-3-piperidin-3-yl-1H-indole
CID 82212328
3-(3,4-dimethoxy-2-methylphenyl)pyrrolidine
CID 84686824
(3S)-3-(5-chloro-2-methoxyphenyl)piperidine
CID 94259889

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine?
The IUPAC name of 3-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine (CID 117422244) is 3-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine.
What is the SMILES notation for 3-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine?
The canonical SMILES for 3-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine is COc1ccc(C2CCCNC2)c(OC)c1SC.
What is the InChIKey of 3-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine?
The InChIKey is ZNCLGLOXNAPKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-16-12-7-6-11(10-5-4-8-15-9-10)13(17-2)14(12)18-3/h6-7,10,15H,4-5,8-9H2,1-3H3.
What are the key properties of 3-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine?
3-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine has a molecular weight of 267.39 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine is sourced from PubChem (CID 117422244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).