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

C15H23NO2S — CID 117451931

IUPAC4-[(3,4-dimethoxy-2-methylsulfanylphenyl)methyl]piperidine
SMILESCOc1ccc(CC2CCNCC2)c(SC)c1OC
InChIInChI=1S/C15H23NO2S/c1-17-13-5-4-12(15(19-3)14(13)18-2)10-11-6-8-16-9-7-11/h4-5,11,16H,6-10H2,1-3H3
InChIKeyDEDIIIWXJMEKFU-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.97
Rot. Bonds5

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

4-[(3,4-dimethoxy-2-methylsulfanylphenyl)methyl]piperidine (PubChem CID 117451931) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 4-[(3,4-dimethoxy-2-methylsulfanylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(3,4-dimethoxy-2-methylsulfanylphenyl)methyl]piperidine
PubChem CID117451931
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name4-[(3,4-dimethoxy-2-methylsulfanylphenyl)methyl]piperidine
SMILESCOc1ccc(CC2CCNCC2)c(SC)c1OC
InChIInChI=1S/C15H23NO2S/c1-17-13-5-4-12(15(19-3)14(13)18-2)10-11-6-8-16-9-7-11/h4-5,11,16H,6-10H2,1-3H3
InChIKeyDEDIIIWXJMEKFU-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-fluoro-4-methoxy-3-methylsulfanylphenyl)methyl]piperidine
CID 117426953
4-[(3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine
CID 117386375
4-[(2-chloro-3,4-dimethoxyphenyl)methyl]piperidine
CID 117427876
4-[(3-ethyl-2,4-dimethoxyphenyl)methyl]piperidine
CID 117413527
4-[(2-fluoro-4-methoxy-3-methylsulfonylphenyl)methyl]piperidine
CID 117485597
4-[(5-fluoro-2,3-dimethoxyphenyl)methyl]piperidine
CID 117386378
4,7-dimethoxy-3-(piperidin-4-ylmethyl)-1H-indole
CID 96680162
4-[(4-chloro-2-methoxyphenyl)methyl]piperidine
CID 84800099
4-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine
CID 117422234
4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386379
4-[(2-cyclobutyloxy-3-methoxyphenyl)methyl]piperidine
CID 117441033
4-[(4-ethyl-2-methoxy-5-methylsulfanylphenyl)methyl]piperidine
CID 117448534

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethoxy-2-methylsulfanylphenyl)methyl]piperidine?
The IUPAC name of 4-[(3,4-dimethoxy-2-methylsulfanylphenyl)methyl]piperidine (CID 117451931) is 4-[(3,4-dimethoxy-2-methylsulfanylphenyl)methyl]piperidine.
What is the SMILES notation for 4-[(3,4-dimethoxy-2-methylsulfanylphenyl)methyl]piperidine?
The canonical SMILES for 4-[(3,4-dimethoxy-2-methylsulfanylphenyl)methyl]piperidine is COc1ccc(CC2CCNCC2)c(SC)c1OC.
What is the InChIKey of 4-[(3,4-dimethoxy-2-methylsulfanylphenyl)methyl]piperidine?
The InChIKey is DEDIIIWXJMEKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-17-13-5-4-12(15(19-3)14(13)18-2)10-11-6-8-16-9-7-11/h4-5,11,16H,6-10H2,1-3H3.
What are the key properties of 4-[(3,4-dimethoxy-2-methylsulfanylphenyl)methyl]piperidine?
4-[(3,4-dimethoxy-2-methylsulfanylphenyl)methyl]piperidine has a molecular weight of 281.42 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethoxy-2-methylsulfanylphenyl)methyl]piperidine is sourced from PubChem (CID 117451931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).