1-(2-methoxyethyl)-2,6-dimethyl-4-(4-methylsulfonylphenyl)piperazine

C16H26N2O3S — CID 86788240

IUPAC1-(2-methoxyethyl)-2,6-dimethyl-4-(4-methylsulfonylphenyl)piperazine
SMILESCOCCN1C(C)CN(c2ccc(S(C)(=O)=O)cc2)CC1C
InChIInChI=1S/C16H26N2O3S/c1-13-11-17(12-14(2)18(13)9-10-21-3)15-5-7-16(8-6-15)22(4,19)20/h5-8,13-14H,9-12H2,1-4H3
InChIKeyXFJSKNZZTXAGBT-UHFFFAOYSA-N
MW326.46 g/mol
LogP1.64
Rot. Bonds5

About 1-(2-methoxyethyl)-2,6-dimethyl-4-(4-methylsulfonylphenyl)piperazine

1-(2-methoxyethyl)-2,6-dimethyl-4-(4-methylsulfonylphenyl)piperazine (PubChem CID 86788240) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2,6-dimethyl-4-(4-methylsulfonylphenyl)piperazine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2,6-dimethyl-4-(4-methylsulfonylphenyl)piperazine
PubChem CID86788240
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name1-(2-methoxyethyl)-2,6-dimethyl-4-(4-methylsulfonylphenyl)piperazine
SMILESCOCCN1C(C)CN(c2ccc(S(C)(=O)=O)cc2)CC1C
InChIInChI=1S/C16H26N2O3S/c1-13-11-17(12-14(2)18(13)9-10-21-3)15-5-7-16(8-6-15)22(4,19)20/h5-8,13-14H,9-12H2,1-4H3
InChIKeyXFJSKNZZTXAGBT-UHFFFAOYSA-N
XLogP1.64
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,6S)-4-(4-ethylsulfonylphenyl)-1-(2-methoxyethyl)-2,6-dimethylpiperazine
CID 99790188
4-(2-methoxyethyl)-N,3,5-trimethylpiperazine-1-sulfonamide
CID 110629141
1-(2-methoxyethyl)-4-[(4-methylsulfonylphenyl)methyl]pyrrolidin-2-one
CID 91780549
4-(3,4-dimethoxyphenyl)sulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine
CID 110602206
3-ethyl-1-(4-methylsulfonylphenyl)piperidin-4-one
CID 121456160
1-(2-methoxyethyl)-4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylpiperazine
CID 110290267
4-[7-(2-methoxyethyl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]aniline
CID 170049377
4-ethylsulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine
CID 110413041
1-(2-methoxyethyl)-2,6-dimethyl-4-(2-methylsulfanylethyl)piperazine
CID 75431601
1-(2-bromoethyl)-4-(4-methylsulfonylphenyl)piperazine
CID 80672677
4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-1-(2-methoxyethyl)-2,6-dimethylpiperazine
CID 110308375
methyl 2-[4-(4-methylsulfonylphenyl)morpholin-2-yl]acetate
CID 115538670

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2,6-dimethyl-4-(4-methylsulfonylphenyl)piperazine?
The IUPAC name of 1-(2-methoxyethyl)-2,6-dimethyl-4-(4-methylsulfonylphenyl)piperazine (CID 86788240) is 1-(2-methoxyethyl)-2,6-dimethyl-4-(4-methylsulfonylphenyl)piperazine.
What is the SMILES notation for 1-(2-methoxyethyl)-2,6-dimethyl-4-(4-methylsulfonylphenyl)piperazine?
The canonical SMILES for 1-(2-methoxyethyl)-2,6-dimethyl-4-(4-methylsulfonylphenyl)piperazine is COCCN1C(C)CN(c2ccc(S(C)(=O)=O)cc2)CC1C.
What is the InChIKey of 1-(2-methoxyethyl)-2,6-dimethyl-4-(4-methylsulfonylphenyl)piperazine?
The InChIKey is XFJSKNZZTXAGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-13-11-17(12-14(2)18(13)9-10-21-3)15-5-7-16(8-6-15)22(4,19)20/h5-8,13-14H,9-12H2,1-4H3.
What are the key properties of 1-(2-methoxyethyl)-2,6-dimethyl-4-(4-methylsulfonylphenyl)piperazine?
1-(2-methoxyethyl)-2,6-dimethyl-4-(4-methylsulfonylphenyl)piperazine has a molecular weight of 326.46 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2,6-dimethyl-4-(4-methylsulfonylphenyl)piperazine is sourced from PubChem (CID 86788240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).