1-benzyl-4-(2-methylsulfonylethyl)piperazine

C14H22N2O2S — CID 78787270

IUPAC1-benzyl-4-(2-methylsulfonylethyl)piperazine
SMILESCS(=O)(=O)CCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H22N2O2S/c1-19(17,18)12-11-15-7-9-16(10-8-15)13-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3
InChIKeyRKTUBACJFABNGW-UHFFFAOYSA-N
MW282.41 g/mol
LogP0.85
Rot. Bonds5

About 1-benzyl-4-(2-methylsulfonylethyl)piperazine

1-benzyl-4-(2-methylsulfonylethyl)piperazine (PubChem CID 78787270) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-benzyl-4-(2-methylsulfonylethyl)piperazine.

Molecular Properties

Compound Name1-benzyl-4-(2-methylsulfonylethyl)piperazine
PubChem CID78787270
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-benzyl-4-(2-methylsulfonylethyl)piperazine
SMILESCS(=O)(=O)CCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H22N2O2S/c1-19(17,18)12-11-15-7-9-16(10-8-15)13-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3
InChIKeyRKTUBACJFABNGW-UHFFFAOYSA-N
XLogP0.85
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 142978183
1-(2-methylsulfonylethyl)-4-phenylpiperazine
CID 70946596
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CID 160853215
1-benzyl-4-methylpiperazine;methanamine
CID 174694163
1-(2-methylsulfonylethyl)-4-(2-phenoxyethyl)piperazine
CID 78792856
1-(2-methylsulfonylethyl)-4-[(1-phenylpyrazol-3-yl)methyl]piperazine
CID 75431738
1-benzyl-4-methylpiperazine;formic acid
CID 54605116
4-methyl-2-[[4-(2-methylsulfonylethyl)piperazin-1-yl]methyl]quinazoline
CID 75434455
1-[(5-chlorothiophen-2-yl)methyl]-4-(2-methylsulfonylethyl)piperazine
CID 78792923
1-[2-(benzenesulfonyl)ethyl]-4-[(3-chlorophenyl)methyl]piperazine
CID 39746579
1-benzyl-4-butylpiperazine;ethane
CID 90954358
4-(4-benzylpiperazin-1-yl)butan-2-one;ethane
CID 91431275

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2-methylsulfonylethyl)piperazine?
The IUPAC name of 1-benzyl-4-(2-methylsulfonylethyl)piperazine (CID 78787270) is 1-benzyl-4-(2-methylsulfonylethyl)piperazine.
What is the SMILES notation for 1-benzyl-4-(2-methylsulfonylethyl)piperazine?
The canonical SMILES for 1-benzyl-4-(2-methylsulfonylethyl)piperazine is CS(=O)(=O)CCN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-(2-methylsulfonylethyl)piperazine?
The InChIKey is RKTUBACJFABNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-19(17,18)12-11-15-7-9-16(10-8-15)13-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3.
What are the key properties of 1-benzyl-4-(2-methylsulfonylethyl)piperazine?
1-benzyl-4-(2-methylsulfonylethyl)piperazine has a molecular weight of 282.41 g/mol, XLogP of 0.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2-methylsulfonylethyl)piperazine is sourced from PubChem (CID 78787270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).