1-[(4-methylsulfonylphenyl)methyl]-4-phenylpiperazine

C18H22N2O2S — CID 141118596

IUPAC1-[(4-methylsulfonylphenyl)methyl]-4-phenylpiperazine
SMILESCS(=O)(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C18H22N2O2S/c1-23(21,22)18-9-7-16(8-10-18)15-19-11-13-20(14-12-19)17-5-3-2-4-6-17/h2-10H,11-15H2,1H3
InChIKeyOVDROJHXKMEQPX-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.41
Rot. Bonds4

About 1-[(4-methylsulfonylphenyl)methyl]-4-phenylpiperazine

1-[(4-methylsulfonylphenyl)methyl]-4-phenylpiperazine (PubChem CID 141118596) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 1-[(4-methylsulfonylphenyl)methyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[(4-methylsulfonylphenyl)methyl]-4-phenylpiperazine
PubChem CID141118596
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name1-[(4-methylsulfonylphenyl)methyl]-4-phenylpiperazine
SMILESCS(=O)(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C18H22N2O2S/c1-23(21,22)18-9-7-16(8-10-18)15-19-11-13-20(14-12-19)17-5-3-2-4-6-17/h2-10H,11-15H2,1H3
InChIKeyOVDROJHXKMEQPX-UHFFFAOYSA-N
XLogP2.41
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[4-(fluoromethyl)phenyl]methyl]-4-phenylpiperazine
CID 11859050
1-[[4-(2-methylpropyl)phenyl]methyl]-4-phenylpiperazine
CID 174263891
1-[(4-ethoxyphenyl)methyl]-4-phenylpiperazine
CID 763918
4-(4-methylphenyl)-N-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]sulfonylbenzamide
CID 56656318
N-methyl-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 1364206
N,N-dimethyl-3-[(4-phenylpiperazin-1-yl)methyl]benzenesulfonamide
CID 27134749
1-(2-bromoethyl)-4-(4-methylsulfonylphenyl)piperazine
CID 80672677
1-benzyl-4-[4-(bromomethyl)phenyl]piperazine
CID 107079129
1-(2-methylsulfonylethyl)-4-phenylpiperazine
CID 70946596
[(1R)-1-(4-methylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethyl] acetate
CID 95243356
(8aR)-2-benzyl-7-[(4-methylsulfonylphenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75368585
4-tert-butyl-1-[(4-methylsulfonylphenyl)methyl]piperidine
CID 58974928

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylsulfonylphenyl)methyl]-4-phenylpiperazine?
The IUPAC name of 1-[(4-methylsulfonylphenyl)methyl]-4-phenylpiperazine (CID 141118596) is 1-[(4-methylsulfonylphenyl)methyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[(4-methylsulfonylphenyl)methyl]-4-phenylpiperazine?
The canonical SMILES for 1-[(4-methylsulfonylphenyl)methyl]-4-phenylpiperazine is CS(=O)(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[(4-methylsulfonylphenyl)methyl]-4-phenylpiperazine?
The InChIKey is OVDROJHXKMEQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-23(21,22)18-9-7-16(8-10-18)15-19-11-13-20(14-12-19)17-5-3-2-4-6-17/h2-10H,11-15H2,1H3.
What are the key properties of 1-[(4-methylsulfonylphenyl)methyl]-4-phenylpiperazine?
1-[(4-methylsulfonylphenyl)methyl]-4-phenylpiperazine has a molecular weight of 330.45 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylsulfonylphenyl)methyl]-4-phenylpiperazine is sourced from PubChem (CID 141118596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).