1-(2,4-dimethylphenyl)-4-(4-methylsulfonylphenyl)piperazine

C19H24N2O2S — CID 163357220

IUPAC1-(2,4-dimethylphenyl)-4-(4-methylsulfonylphenyl)piperazine
SMILESCc1ccc(N2CCN(c3ccc(S(C)(=O)=O)cc3)CC2)c(C)c1
InChIInChI=1S/C19H24N2O2S/c1-15-4-9-19(16(2)14-15)21-12-10-20(11-13-21)17-5-7-18(8-6-17)24(3,22)23/h4-9,14H,10-13H2,1-3H3
InChIKeyHNAZWHZWTFFCGC-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.03
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-4-(4-methylsulfonylphenyl)piperazine

1-(2,4-dimethylphenyl)-4-(4-methylsulfonylphenyl)piperazine (PubChem CID 163357220) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-4-(4-methylsulfonylphenyl)piperazine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-4-(4-methylsulfonylphenyl)piperazine
PubChem CID163357220
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name1-(2,4-dimethylphenyl)-4-(4-methylsulfonylphenyl)piperazine
SMILESCc1ccc(N2CCN(c3ccc(S(C)(=O)=O)cc3)CC2)c(C)c1
InChIInChI=1S/C19H24N2O2S/c1-15-4-9-19(16(2)14-15)21-12-10-20(11-13-21)17-5-7-18(8-6-17)24(3,22)23/h4-9,14H,10-13H2,1-3H3
InChIKeyHNAZWHZWTFFCGC-UHFFFAOYSA-N
XLogP3.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylphenyl)-4-(4-methylsulfonylphenyl)piperazine
CID 171998032
1-(3,4-dimethylphenyl)-4-(4-methylsulfonylphenyl)piperazine
CID 133451865
1-(2-chloro-4-fluorophenyl)-4-(4-methylsulfonylphenyl)piperazine
CID 133451832
1-(2,4-dimethylphenyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 1293254
1-(2,4-dimethylphenyl)-4-ethylsulfonylpiperazine
CID 23987033
4-(4-methylsulfonylphenyl)piperazine-1-carbaldehyde
CID 142680659
1-(2,3-dichlorophenyl)-4-(4-methylsulfonylphenyl)piperazine
CID 171690872
4-(4-methylsulfonylphenyl)piperazine-1-carboxylic acid
CID 141113101
1-(1,3-benzodioxol-5-ylsulfonyl)-4-(2,4-dimethylphenyl)piperazine
CID 113075406
1-(4-methyl-2-methylsulfonylphenyl)pyrrolidine
CID 168515392
1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine
CID 2137807
1-(2-bromoethyl)-4-(4-methylsulfonylphenyl)piperazine
CID 80672677

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-4-(4-methylsulfonylphenyl)piperazine?
The IUPAC name of 1-(2,4-dimethylphenyl)-4-(4-methylsulfonylphenyl)piperazine (CID 163357220) is 1-(2,4-dimethylphenyl)-4-(4-methylsulfonylphenyl)piperazine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-4-(4-methylsulfonylphenyl)piperazine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-4-(4-methylsulfonylphenyl)piperazine is Cc1ccc(N2CCN(c3ccc(S(C)(=O)=O)cc3)CC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-4-(4-methylsulfonylphenyl)piperazine?
The InChIKey is HNAZWHZWTFFCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-15-4-9-19(16(2)14-15)21-12-10-20(11-13-21)17-5-7-18(8-6-17)24(3,22)23/h4-9,14H,10-13H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-4-(4-methylsulfonylphenyl)piperazine?
1-(2,4-dimethylphenyl)-4-(4-methylsulfonylphenyl)piperazine has a molecular weight of 344.48 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-4-(4-methylsulfonylphenyl)piperazine is sourced from PubChem (CID 163357220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).