2-[(3,4-dimethoxyphenyl)sulfanylmethyl]piperidine

C14H21NO2S — CID 117033099

IUPAC2-[(3,4-dimethoxyphenyl)sulfanylmethyl]piperidine
SMILESCOc1ccc(SCC2CCCCN2)cc1OC
InChIInChI=1S/C14H21NO2S/c1-16-13-7-6-12(9-14(13)17-2)18-10-11-5-3-4-8-15-11/h6-7,9,11,15H,3-5,8,10H2,1-2H3
InChIKeyMVFOMEWQTITITJ-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.94
Rot. Bonds5

About 2-[(3,4-dimethoxyphenyl)sulfanylmethyl]piperidine

2-[(3,4-dimethoxyphenyl)sulfanylmethyl]piperidine (PubChem CID 117033099) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)sulfanylmethyl]piperidine.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)sulfanylmethyl]piperidine
PubChem CID117033099
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-[(3,4-dimethoxyphenyl)sulfanylmethyl]piperidine
SMILESCOc1ccc(SCC2CCCCN2)cc1OC
InChIInChI=1S/C14H21NO2S/c1-16-13-7-6-12(9-14(13)17-2)18-10-11-5-3-4-8-15-11/h6-7,9,11,15H,3-5,8,10H2,1-2H3
InChIKeyMVFOMEWQTITITJ-UHFFFAOYSA-N
XLogP2.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[(4-methylphenyl)sulfanylmethyl]pyrrolidine;hydrochloride
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2-[(2,3,6-trimethoxyphenyl)methyl]piperidine
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2-fluoro-4-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]aniline
CID 102820426
N-(3,4-dimethoxyphenyl)-2-piperidin-2-ylacetamide
CID 43151267
2-[(4-cyclopropyloxy-3-methoxyphenyl)methyl]piperidine
CID 117408287
2-[(3-chloro-4-methoxyphenyl)methyl]piperidine
CID 82084437
(2S)-2-(3,4-dimethoxyphenyl)piperidine;hydrochloride
CID 171194815
2-[(2,4-dimethoxyphenyl)methyl]piperidine
CID 62800646
2-[(5-cyclohexyl-2-methoxyphenyl)methyl]piperidine
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2-[[3-(fluoromethyl)-4-methoxyphenyl]methyl]piperidine
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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)sulfanylmethyl]piperidine?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)sulfanylmethyl]piperidine (CID 117033099) is 2-[(3,4-dimethoxyphenyl)sulfanylmethyl]piperidine.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)sulfanylmethyl]piperidine?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)sulfanylmethyl]piperidine is COc1ccc(SCC2CCCCN2)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)sulfanylmethyl]piperidine?
The InChIKey is MVFOMEWQTITITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-16-13-7-6-12(9-14(13)17-2)18-10-11-5-3-4-8-15-11/h6-7,9,11,15H,3-5,8,10H2,1-2H3.
What are the key properties of 2-[(3,4-dimethoxyphenyl)sulfanylmethyl]piperidine?
2-[(3,4-dimethoxyphenyl)sulfanylmethyl]piperidine has a molecular weight of 267.39 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)sulfanylmethyl]piperidine is sourced from PubChem (CID 117033099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).