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

C19H24N2O2S — CID 71699221

IUPAC1-benzyl-4-(2-phenylethylsulfonyl)piperazine
SMILESO=S(=O)(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H24N2O2S/c22-24(23,16-11-18-7-3-1-4-8-18)21-14-12-20(13-15-21)17-19-9-5-2-6-10-19/h1-10H,11-17H2
InChIKeyDAQJNZIQEKHBGE-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.38
Rot. Bonds6

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

1-benzyl-4-(2-phenylethylsulfonyl)piperazine (PubChem CID 71699221) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-benzyl-4-(2-phenylethylsulfonyl)piperazine.

Molecular Properties

Compound Name1-benzyl-4-(2-phenylethylsulfonyl)piperazine
PubChem CID71699221
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name1-benzyl-4-(2-phenylethylsulfonyl)piperazine
SMILESO=S(=O)(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H24N2O2S/c22-24(23,16-11-18-7-3-1-4-8-18)21-14-12-20(13-15-21)17-19-9-5-2-6-10-19/h1-10H,11-17H2
InChIKeyDAQJNZIQEKHBGE-UHFFFAOYSA-N
XLogP2.38
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2-phenylethylsulfonyl)piperazine?
The IUPAC name of 1-benzyl-4-(2-phenylethylsulfonyl)piperazine (CID 71699221) is 1-benzyl-4-(2-phenylethylsulfonyl)piperazine.
What is the SMILES notation for 1-benzyl-4-(2-phenylethylsulfonyl)piperazine?
The canonical SMILES for 1-benzyl-4-(2-phenylethylsulfonyl)piperazine is O=S(=O)(CCc1ccccc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-(2-phenylethylsulfonyl)piperazine?
The InChIKey is DAQJNZIQEKHBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c22-24(23,16-11-18-7-3-1-4-8-18)21-14-12-20(13-15-21)17-19-9-5-2-6-10-19/h1-10H,11-17H2.
What are the key properties of 1-benzyl-4-(2-phenylethylsulfonyl)piperazine?
1-benzyl-4-(2-phenylethylsulfonyl)piperazine has a molecular weight of 344.48 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2-phenylethylsulfonyl)piperazine is sourced from PubChem (CID 71699221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).