1,2,2-trimethyl-4-[4-(4-methylphenyl)sulfanyloxyphenyl]piperazine

C20H26N2OS — CID 145112904

IUPAC1,2,2-trimethyl-4-[4-(4-methylphenyl)sulfanyloxyphenyl]piperazine
SMILESCc1ccc(SOc2ccc(N3CCN(C)C(C)(C)C3)cc2)cc1
InChIInChI=1S/C20H26N2OS/c1-16-5-11-19(12-6-16)24-23-18-9-7-17(8-10-18)22-14-13-21(4)20(2,3)15-22/h5-12H,13-15H2,1-4H3
InChIKeyNXAREWHLAFDIEB-UHFFFAOYSA-N
MW342.51 g/mol
LogP4.61
Rot. Bonds4

About 1,2,2-trimethyl-4-[4-(4-methylphenyl)sulfanyloxyphenyl]piperazine

1,2,2-trimethyl-4-[4-(4-methylphenyl)sulfanyloxyphenyl]piperazine (PubChem CID 145112904) has the molecular formula C20H26N2OS and a molecular weight of 342.51 g/mol. Its IUPAC name is 1,2,2-trimethyl-4-[4-(4-methylphenyl)sulfanyloxyphenyl]piperazine.

Molecular Properties

Compound Name1,2,2-trimethyl-4-[4-(4-methylphenyl)sulfanyloxyphenyl]piperazine
PubChem CID145112904
Molecular FormulaC20H26N2OS
Molecular Weight342.51 g/mol
Exact Mass342.18
IUPAC Name1,2,2-trimethyl-4-[4-(4-methylphenyl)sulfanyloxyphenyl]piperazine
SMILESCc1ccc(SOc2ccc(N3CCN(C)C(C)(C)C3)cc2)cc1
InChIInChI=1S/C20H26N2OS/c1-16-5-11-19(12-6-16)24-23-18-9-7-17(8-10-18)22-14-13-21(4)20(2,3)15-22/h5-12H,13-15H2,1-4H3
InChIKeyNXAREWHLAFDIEB-UHFFFAOYSA-N
XLogP4.61
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Analyze 1,2,2-trimethyl-4-[4-(4-methylphenyl)sulfanyloxyphenyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(4-methylphenyl)sulfanyloxyphenyl]-4-(pyridin-3-ylmethyl)piperazine
CID 145113230
2-methoxy-4-(3,3,4-trimethylpiperazin-1-yl)aniline
CID 63678193
2-(3,4-dimethoxyphenyl)acetaldehyde;1,2-dimethyl-4-[4-(4-methylphenyl)sulfanyloxyphenyl]piperazine
CID 145113009
2-ethoxy-4-(3,3,4-trimethylpiperazin-1-yl)aniline
CID 55232962
3,3-dimethyl-1-(4-methylphenyl)piperidin-4-ol
CID 117024204
4-[4-[(3,4-dimethoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]-N-(4-methylphenyl)sulfanylaniline
CID 145113430
1,3-bis(4-methylphenyl)-1,3-diazinane
CID 22020050
5-methyl-2-(4-methylphenyl)-2,5-diazaspiro[3.5]nonane
CID 166899276
2-methyl-7-(4-methylphenyl)-2,7-diazaspiro[3.5]nonane
CID 163257013
4-methoxy-1-(4-methylphenyl)sulfanyloxy-2-propan-2-ylbenzene
CID 145463563
1-methyl-4-(4-methylphenyl)-1,4-diazocane
CID 143370715
N'-hydroxy-4-methoxy-2-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide
CID 81296987

Frequently Asked Questions

What is the IUPAC name of 1,2,2-trimethyl-4-[4-(4-methylphenyl)sulfanyloxyphenyl]piperazine?
The IUPAC name of 1,2,2-trimethyl-4-[4-(4-methylphenyl)sulfanyloxyphenyl]piperazine (CID 145112904) is 1,2,2-trimethyl-4-[4-(4-methylphenyl)sulfanyloxyphenyl]piperazine.
What is the SMILES notation for 1,2,2-trimethyl-4-[4-(4-methylphenyl)sulfanyloxyphenyl]piperazine?
The canonical SMILES for 1,2,2-trimethyl-4-[4-(4-methylphenyl)sulfanyloxyphenyl]piperazine is Cc1ccc(SOc2ccc(N3CCN(C)C(C)(C)C3)cc2)cc1.
What is the InChIKey of 1,2,2-trimethyl-4-[4-(4-methylphenyl)sulfanyloxyphenyl]piperazine?
The InChIKey is NXAREWHLAFDIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2OS/c1-16-5-11-19(12-6-16)24-23-18-9-7-17(8-10-18)22-14-13-21(4)20(2,3)15-22/h5-12H,13-15H2,1-4H3.
What are the key properties of 1,2,2-trimethyl-4-[4-(4-methylphenyl)sulfanyloxyphenyl]piperazine?
1,2,2-trimethyl-4-[4-(4-methylphenyl)sulfanyloxyphenyl]piperazine has a molecular weight of 342.51 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trimethyl-4-[4-(4-methylphenyl)sulfanyloxyphenyl]piperazine is sourced from PubChem (CID 145112904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).