1-benzyl-4-(3-methylsulfonylpropyl)piperazine

C15H24N2O2S — CID 142978183

IUPAC1-benzyl-4-(3-methylsulfonylpropyl)piperazine
SMILESCS(=O)(=O)CCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H24N2O2S/c1-20(18,19)13-5-8-16-9-11-17(12-10-16)14-15-6-3-2-4-7-15/h2-4,6-7H,5,8-14H2,1H3
InChIKeyIBRIQYVGVNSMPL-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.24
Rot. Bonds6

About 1-benzyl-4-(3-methylsulfonylpropyl)piperazine

1-benzyl-4-(3-methylsulfonylpropyl)piperazine (PubChem CID 142978183) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-benzyl-4-(3-methylsulfonylpropyl)piperazine.

Molecular Properties

Compound Name1-benzyl-4-(3-methylsulfonylpropyl)piperazine
PubChem CID142978183
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-benzyl-4-(3-methylsulfonylpropyl)piperazine
SMILESCS(=O)(=O)CCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H24N2O2S/c1-20(18,19)13-5-8-16-9-11-17(12-10-16)14-15-6-3-2-4-7-15/h2-4,6-7H,5,8-14H2,1H3
InChIKeyIBRIQYVGVNSMPL-UHFFFAOYSA-N
XLogP1.24
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-(2-methylsulfonylethyl)piperazine
CID 78787270
1-benzyl-4-butylpiperazine;ethane
CID 90954358
1-benzyl-4-heptylpiperazine
CID 22088087
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-4-methylpiperazine;methanamine
CID 174694163
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
1-benzyl-4-methylpiperazine;formic acid
CID 54605116
5-(4-benzylpiperazin-1-yl)-2-methylpentan-2-ol
CID 139898949
1-(2-methylsulfonylethyl)-4-phenylpiperazine
CID 70946596
3-[(6S)-4-benzyl-6-hydroxy-1,4-diazepan-1-yl]-N,N-dimethylpropane-1-sulfonamide
CID 98863466
6-(4-benzylpiperazin-1-yl)hexan-2-amine
CID 82853260
1-benzyl-4-(3-phenylpropylsulfonyl)piperazine
CID 113073931

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(3-methylsulfonylpropyl)piperazine?
The IUPAC name of 1-benzyl-4-(3-methylsulfonylpropyl)piperazine (CID 142978183) is 1-benzyl-4-(3-methylsulfonylpropyl)piperazine.
What is the SMILES notation for 1-benzyl-4-(3-methylsulfonylpropyl)piperazine?
The canonical SMILES for 1-benzyl-4-(3-methylsulfonylpropyl)piperazine is CS(=O)(=O)CCCN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-(3-methylsulfonylpropyl)piperazine?
The InChIKey is IBRIQYVGVNSMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-20(18,19)13-5-8-16-9-11-17(12-10-16)14-15-6-3-2-4-7-15/h2-4,6-7H,5,8-14H2,1H3.
What are the key properties of 1-benzyl-4-(3-methylsulfonylpropyl)piperazine?
1-benzyl-4-(3-methylsulfonylpropyl)piperazine has a molecular weight of 296.44 g/mol, XLogP of 1.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(3-methylsulfonylpropyl)piperazine is sourced from PubChem (CID 142978183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).