1-[(4-ethoxyphenyl)methyl]-4-methylsulfonylpiperazine

C14H22N2O3S — CID 2881274

IUPAC1-[(4-ethoxyphenyl)methyl]-4-methylsulfonylpiperazine
SMILESCCOc1ccc(CN2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C14H22N2O3S/c1-3-19-14-6-4-13(5-7-14)12-15-8-10-16(11-9-15)20(2,17)18/h4-7H,3,8-12H2,1-2H3
InChIKeyKAJGAXJUFKJCIJ-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.16
Rot. Bonds5

About 1-[(4-ethoxyphenyl)methyl]-4-methylsulfonylpiperazine

1-[(4-ethoxyphenyl)methyl]-4-methylsulfonylpiperazine (PubChem CID 2881274) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-[(4-ethoxyphenyl)methyl]-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-[(4-ethoxyphenyl)methyl]-4-methylsulfonylpiperazine
PubChem CID2881274
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name1-[(4-ethoxyphenyl)methyl]-4-methylsulfonylpiperazine
SMILESCCOc1ccc(CN2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C14H22N2O3S/c1-3-19-14-6-4-13(5-7-14)12-15-8-10-16(11-9-15)20(2,17)18/h4-7H,3,8-12H2,1-2H3
InChIKeyKAJGAXJUFKJCIJ-UHFFFAOYSA-N
XLogP1.16
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
CID 38253871
1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperazine
CID 2448017
1-(benzenesulfonyl)-4-[(4-ethoxyphenyl)methyl]piperazine;oxalic acid
CID 17365974
N-methyl-2-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]ethanamine
CID 105347634
1-[(4-ethoxyphenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine;oxalic acid
CID 2902011
1-[(6-chloro-3-pyridinyl)methyl]-4-methylsulfonylpiperazine
CID 35150863
1-(2-adamantyl)-4-[(4-ethoxyphenyl)methyl]piperazine
CID 23881244
1-[(4-cyclopentyloxyphenyl)methyl]-4-methylsulfonyl-1,4-diazepane
CID 91773142
4-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethoxy]benzenesulfonamide
CID 34933504
difluoro-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]borane
CID 91886713
1-[(3,4-dichlorophenyl)methyl]-4-methylsulfonylpiperazine
CID 4767728
2-(4-ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 55461138

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxyphenyl)methyl]-4-methylsulfonylpiperazine?
The IUPAC name of 1-[(4-ethoxyphenyl)methyl]-4-methylsulfonylpiperazine (CID 2881274) is 1-[(4-ethoxyphenyl)methyl]-4-methylsulfonylpiperazine.
What is the SMILES notation for 1-[(4-ethoxyphenyl)methyl]-4-methylsulfonylpiperazine?
The canonical SMILES for 1-[(4-ethoxyphenyl)methyl]-4-methylsulfonylpiperazine is CCOc1ccc(CN2CCN(S(C)(=O)=O)CC2)cc1.
What is the InChIKey of 1-[(4-ethoxyphenyl)methyl]-4-methylsulfonylpiperazine?
The InChIKey is KAJGAXJUFKJCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-3-19-14-6-4-13(5-7-14)12-15-8-10-16(11-9-15)20(2,17)18/h4-7H,3,8-12H2,1-2H3.
What are the key properties of 1-[(4-ethoxyphenyl)methyl]-4-methylsulfonylpiperazine?
1-[(4-ethoxyphenyl)methyl]-4-methylsulfonylpiperazine has a molecular weight of 298.41 g/mol, XLogP of 1.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxyphenyl)methyl]-4-methylsulfonylpiperazine is sourced from PubChem (CID 2881274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).