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

C14H21NO4S — CID 117482426

IUPAC2-(2,3-dimethoxy-4-methylsulfonylphenyl)piperidine
SMILESCOc1c(C2CCCCN2)ccc(S(C)(=O)=O)c1OC
InChIInChI=1S/C14H21NO4S/c1-18-13-10(11-6-4-5-9-15-11)7-8-12(14(13)19-2)20(3,16)17/h7-8,11,15H,4-6,9H2,1-3H3
InChIKeyGNKFBNPXIAOUOY-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.92
Rot. Bonds4

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

2-(2,3-dimethoxy-4-methylsulfonylphenyl)piperidine (PubChem CID 117482426) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 2-(2,3-dimethoxy-4-methylsulfonylphenyl)piperidine.

Molecular Properties

Compound Name2-(2,3-dimethoxy-4-methylsulfonylphenyl)piperidine
PubChem CID117482426
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name2-(2,3-dimethoxy-4-methylsulfonylphenyl)piperidine
SMILESCOc1c(C2CCCCN2)ccc(S(C)(=O)=O)c1OC
InChIInChI=1S/C14H21NO4S/c1-18-13-10(11-6-4-5-9-15-11)7-8-12(14(13)19-2)20(3,16)17/h7-8,11,15H,4-6,9H2,1-3H3
InChIKeyGNKFBNPXIAOUOY-UHFFFAOYSA-N
XLogP1.92
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3,4-trimethoxyphenyl)azepane
CID 62543922
(2R)-2-(2,3,4-trimethoxyphenyl)piperidine;hydrochloride
CID 171195335
2-(4-methyl-2-methylsulfonylphenyl)piperidine
CID 117386781
2-(2-methoxy-3-methylphenyl)azepane
CID 5021978
2-[(2-methoxy-3-methylsulfonylphenyl)methyl]piperidine
CID 117455719
2-(3-methoxy-4-methylsulfonylphenyl)pyrrolidine
CID 117391561
2-methoxy-3-methyl-6-piperidin-2-ylphenol
CID 84686849
2-(5-bromo-2-methylsulfonylphenyl)pyrrolidine
CID 117489419
2-(4-methoxy-2,3,5-trimethylphenyl)piperidine
CID 82290366
2-methylsulfonyl-5-piperidin-2-ylphenol
CID 117391593
2-(2-chloro-6-methylsulfonylphenyl)piperidine
CID 117437278
(2S)-2-(2-chloro-3,4-dimethoxyphenyl)pyrrolidine
CID 66519603

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxy-4-methylsulfonylphenyl)piperidine?
The IUPAC name of 2-(2,3-dimethoxy-4-methylsulfonylphenyl)piperidine (CID 117482426) is 2-(2,3-dimethoxy-4-methylsulfonylphenyl)piperidine.
What is the SMILES notation for 2-(2,3-dimethoxy-4-methylsulfonylphenyl)piperidine?
The canonical SMILES for 2-(2,3-dimethoxy-4-methylsulfonylphenyl)piperidine is COc1c(C2CCCCN2)ccc(S(C)(=O)=O)c1OC.
What is the InChIKey of 2-(2,3-dimethoxy-4-methylsulfonylphenyl)piperidine?
The InChIKey is GNKFBNPXIAOUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-18-13-10(11-6-4-5-9-15-11)7-8-12(14(13)19-2)20(3,16)17/h7-8,11,15H,4-6,9H2,1-3H3.
What are the key properties of 2-(2,3-dimethoxy-4-methylsulfonylphenyl)piperidine?
2-(2,3-dimethoxy-4-methylsulfonylphenyl)piperidine has a molecular weight of 299.39 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxy-4-methylsulfonylphenyl)piperidine is sourced from PubChem (CID 117482426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).