1-methyl-4-[3-(4-methylthiophen-3-yl)phenyl]piperazine

C16H20N2S — CID 141166517

IUPAC1-methyl-4-[3-(4-methylthiophen-3-yl)phenyl]piperazine
SMILESCc1cscc1-c1cccc(N2CCN(C)CC2)c1
InChIInChI=1S/C16H20N2S/c1-13-11-19-12-16(13)14-4-3-5-15(10-14)18-8-6-17(2)7-9-18/h3-5,10-12H,6-9H2,1-2H3
InChIKeyLSBBZNFZOGWUGC-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.48
Rot. Bonds2

About 1-methyl-4-[3-(4-methylthiophen-3-yl)phenyl]piperazine

1-methyl-4-[3-(4-methylthiophen-3-yl)phenyl]piperazine (PubChem CID 141166517) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 1-methyl-4-[3-(4-methylthiophen-3-yl)phenyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[3-(4-methylthiophen-3-yl)phenyl]piperazine
PubChem CID141166517
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name1-methyl-4-[3-(4-methylthiophen-3-yl)phenyl]piperazine
SMILESCc1cscc1-c1cccc(N2CCN(C)CC2)c1
InChIInChI=1S/C16H20N2S/c1-13-11-19-12-16(13)14-4-3-5-15(10-14)18-8-6-17(2)7-9-18/h3-5,10-12H,6-9H2,1-2H3
InChIKeyLSBBZNFZOGWUGC-UHFFFAOYSA-N
XLogP3.48
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-4-[3-(4-methylthiophen-3-yl)phenyl]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-methyl-4-[2-(4-methylthiophen-3-yl)-4-pyridinyl]piperazine
CID 25218150
1-[3-(2,6-dichlorophenyl)phenyl]-4-methylpiperazine
CID 174707727
1-methyl-4-[3-(2-methyl-6-propan-2-yl-3-pyridinyl)phenyl]piperazine
CID 90364267
4-[3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-amine
CID 68700957
1-methyl-4-[3-(1-methylpyrazol-4-yl)phenyl]piperazine
CID 137468196
1-methyl-4-(5-phenylthiophen-3-yl)piperazine
CID 57261916
1-methyl-4-(3-methylphenyl)-1,4-diazepane
CID 118420862
1-methyl-4-[3-(2H-triazol-4-yl)phenyl]piperazine
CID 175938497
4-[3-(4-methylpiperazin-1-yl)phenyl]-1,3-oxazole
CID 176859206
1-(3,4-dimethylphenyl)-4-methylpiperazine
CID 21363783
1-(3-thiophen-3-ylphenyl)pyrrolidine
CID 145461347
1-(3-ethenylphenyl)-4-methylpiperazine
CID 123546085

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(4-methylthiophen-3-yl)phenyl]piperazine?
The IUPAC name of 1-methyl-4-[3-(4-methylthiophen-3-yl)phenyl]piperazine (CID 141166517) is 1-methyl-4-[3-(4-methylthiophen-3-yl)phenyl]piperazine.
What is the SMILES notation for 1-methyl-4-[3-(4-methylthiophen-3-yl)phenyl]piperazine?
The canonical SMILES for 1-methyl-4-[3-(4-methylthiophen-3-yl)phenyl]piperazine is Cc1cscc1-c1cccc(N2CCN(C)CC2)c1.
What is the InChIKey of 1-methyl-4-[3-(4-methylthiophen-3-yl)phenyl]piperazine?
The InChIKey is LSBBZNFZOGWUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-13-11-19-12-16(13)14-4-3-5-15(10-14)18-8-6-17(2)7-9-18/h3-5,10-12H,6-9H2,1-2H3.
What are the key properties of 1-methyl-4-[3-(4-methylthiophen-3-yl)phenyl]piperazine?
1-methyl-4-[3-(4-methylthiophen-3-yl)phenyl]piperazine has a molecular weight of 272.42 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(4-methylthiophen-3-yl)phenyl]piperazine is sourced from PubChem (CID 141166517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).