1-(4-methoxyphenyl)-4-(2-phenylethenylsulfonyl)piperazine

C19H22N2O3S — CID 1192953

IUPAC1-(4-methoxyphenyl)-4-(2-phenylethenylsulfonyl)piperazine
SMILESCOc1ccc(N2CCN(S(=O)(=O)C=Cc3ccccc3)CC2)cc1
InChIInChI=1S/C19H22N2O3S/c1-24-19-9-7-18(8-10-19)20-12-14-21(15-13-20)25(22,23)16-11-17-5-3-2-4-6-17/h2-11,16H,12-15H2,1H3
InChIKeyRVMYNLFGNQOCMX-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.82
Rot. Bonds5

About 1-(4-methoxyphenyl)-4-(2-phenylethenylsulfonyl)piperazine

1-(4-methoxyphenyl)-4-(2-phenylethenylsulfonyl)piperazine (PubChem CID 1192953) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-(2-phenylethenylsulfonyl)piperazine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-(2-phenylethenylsulfonyl)piperazine
PubChem CID1192953
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name1-(4-methoxyphenyl)-4-(2-phenylethenylsulfonyl)piperazine
SMILESCOc1ccc(N2CCN(S(=O)(=O)C=Cc3ccccc3)CC2)cc1
InChIInChI=1S/C19H22N2O3S/c1-24-19-9-7-18(8-10-19)20-12-14-21(15-13-20)25(22,23)16-11-17-5-3-2-4-6-17/h2-11,16H,12-15H2,1H3
InChIKeyRVMYNLFGNQOCMX-UHFFFAOYSA-N
XLogP2.82
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-4-(2-phenylethenylsulfonyl)piperazine
CID 877215
1-[2-(4-methoxyphenyl)ethyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazine
CID 17486378
1-(4-methoxyphenyl)-3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]imidazole-2-thione
CID 17477615
2-methyl-5-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridazin-3-one
CID 30921011
(2,4-dimethoxyphenyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 9496766
N-[(4-methoxyphenyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 7959643
2-(3-methoxyphenyl)-1-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]ethanone
CID 78568583
1-(4-methoxyphenyl)-4-(2-methoxyphenyl)sulfonylpiperazine
CID 51109656
[4-(4-chlorophenyl)piperazin-1-yl]-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanone
CID 60557462
1-(4-methoxyphenyl)-4-[(E)-non-1-en-3-ynyl]sulfonylpiperazine
CID 87345524
1-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1160819
(E)-N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide
CID 51166216

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-(2-phenylethenylsulfonyl)piperazine?
The IUPAC name of 1-(4-methoxyphenyl)-4-(2-phenylethenylsulfonyl)piperazine (CID 1192953) is 1-(4-methoxyphenyl)-4-(2-phenylethenylsulfonyl)piperazine.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-(2-phenylethenylsulfonyl)piperazine?
The canonical SMILES for 1-(4-methoxyphenyl)-4-(2-phenylethenylsulfonyl)piperazine is COc1ccc(N2CCN(S(=O)(=O)C=Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-(2-phenylethenylsulfonyl)piperazine?
The InChIKey is RVMYNLFGNQOCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-24-19-9-7-18(8-10-19)20-12-14-21(15-13-20)25(22,23)16-11-17-5-3-2-4-6-17/h2-11,16H,12-15H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-4-(2-phenylethenylsulfonyl)piperazine?
1-(4-methoxyphenyl)-4-(2-phenylethenylsulfonyl)piperazine has a molecular weight of 358.46 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-(2-phenylethenylsulfonyl)piperazine is sourced from PubChem (CID 1192953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).