1-[(2,5-dimethylphenyl)-(4-methylthiophen-2-yl)methyl]piperazine

C18H24N2S — CID 3304093

IUPAC1-[(2,5-dimethylphenyl)-(4-methylthiophen-2-yl)methyl]piperazine
SMILESCc1csc(C(c2cc(C)ccc2C)N2CCNCC2)c1
InChIInChI=1S/C18H24N2S/c1-13-4-5-15(3)16(10-13)18(17-11-14(2)12-21-17)20-8-6-19-7-9-20/h4-5,10-12,18-19H,6-9H2,1-3H3
InChIKeyGPONWESCMDURIT-UHFFFAOYSA-N
MW300.47 g/mol
LogP3.67
Rot. Bonds3

About 1-[(2,5-dimethylphenyl)-(4-methylthiophen-2-yl)methyl]piperazine

1-[(2,5-dimethylphenyl)-(4-methylthiophen-2-yl)methyl]piperazine (PubChem CID 3304093) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)-(4-methylthiophen-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2,5-dimethylphenyl)-(4-methylthiophen-2-yl)methyl]piperazine
PubChem CID3304093
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC Name1-[(2,5-dimethylphenyl)-(4-methylthiophen-2-yl)methyl]piperazine
SMILESCc1csc(C(c2cc(C)ccc2C)N2CCNCC2)c1
InChIInChI=1S/C18H24N2S/c1-13-4-5-15(3)16(10-13)18(17-11-14(2)12-21-17)20-8-6-19-7-9-20/h4-5,10-12,18-19H,6-9H2,1-3H3
InChIKeyGPONWESCMDURIT-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methylthiophen-2-yl)-naphthalen-1-ylmethyl]piperazine
CID 5112017
1-[(4-chlorophenyl)-(2,5-dimethylphenyl)methyl]piperazine
CID 4312226
1-[(R)-(2,4-dimethylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171282255
1-[(S)-(2-fluoro-5-methylphenyl)-thiophen-2-ylmethyl]piperazine
CID 171175862
1-[(3,4-dichlorophenyl)-(2,5-dimethylphenyl)methyl]-1,4-diazepane
CID 3779720
5-methyl-2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
CID 171294370
2-[(4-methylthiophen-2-yl)-piperazin-1-ylmethyl]quinoline
CID 4574201
1-[1-(2,5-dimethylphenyl)ethyl]-1,4-diazepane
CID 3830311
1-[(1S)-1-(2,5-dimethylphenyl)-2,2,2-trifluoroethyl]piperazine
CID 171178089
1-[(2,4-difluorophenyl)-(2,5-dimethylphenyl)methyl]-1,4-diazepane
CID 4637236
1-[1,3-benzodioxol-5-yl-(4-methylthiophen-2-yl)methyl]-1,4-diazepane
CID 3833825
(2R)-2-(2,5-dimethylphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183677

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenyl)-(4-methylthiophen-2-yl)methyl]piperazine?
The IUPAC name of 1-[(2,5-dimethylphenyl)-(4-methylthiophen-2-yl)methyl]piperazine (CID 3304093) is 1-[(2,5-dimethylphenyl)-(4-methylthiophen-2-yl)methyl]piperazine.
What is the SMILES notation for 1-[(2,5-dimethylphenyl)-(4-methylthiophen-2-yl)methyl]piperazine?
The canonical SMILES for 1-[(2,5-dimethylphenyl)-(4-methylthiophen-2-yl)methyl]piperazine is Cc1csc(C(c2cc(C)ccc2C)N2CCNCC2)c1.
What is the InChIKey of 1-[(2,5-dimethylphenyl)-(4-methylthiophen-2-yl)methyl]piperazine?
The InChIKey is GPONWESCMDURIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-13-4-5-15(3)16(10-13)18(17-11-14(2)12-21-17)20-8-6-19-7-9-20/h4-5,10-12,18-19H,6-9H2,1-3H3.
What are the key properties of 1-[(2,5-dimethylphenyl)-(4-methylthiophen-2-yl)methyl]piperazine?
1-[(2,5-dimethylphenyl)-(4-methylthiophen-2-yl)methyl]piperazine has a molecular weight of 300.47 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylphenyl)-(4-methylthiophen-2-yl)methyl]piperazine is sourced from PubChem (CID 3304093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).