2,2,5-trimethyl-1-(2-thiophen-2-ylethyl)piperazine

C13H22N2S — CID 64845507

IUPAC2,2,5-trimethyl-1-(2-thiophen-2-ylethyl)piperazine
SMILESCC1CN(CCc2cccs2)C(C)(C)CN1
InChIInChI=1S/C13H22N2S/c1-11-9-15(13(2,3)10-14-11)7-6-12-5-4-8-16-12/h4-5,8,11,14H,6-7,9-10H2,1-3H3
InChIKeyROOOSEJZGXXEEW-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.36
Rot. Bonds3

About 2,2,5-trimethyl-1-(2-thiophen-2-ylethyl)piperazine

2,2,5-trimethyl-1-(2-thiophen-2-ylethyl)piperazine (PubChem CID 64845507) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 2,2,5-trimethyl-1-(2-thiophen-2-ylethyl)piperazine.

Molecular Properties

Compound Name2,2,5-trimethyl-1-(2-thiophen-2-ylethyl)piperazine
PubChem CID64845507
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name2,2,5-trimethyl-1-(2-thiophen-2-ylethyl)piperazine
SMILESCC1CN(CCc2cccs2)C(C)(C)CN1
InChIInChI=1S/C13H22N2S/c1-11-9-15(13(2,3)10-14-11)7-6-12-5-4-8-16-12/h4-5,8,11,14H,6-7,9-10H2,1-3H3
InChIKeyROOOSEJZGXXEEW-UHFFFAOYSA-N
XLogP2.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-(2-thiophen-2-ylethyl)piperazine
CID 63774564
2,2-diethyl-5-methyl-1-(thiophen-2-ylmethyl)piperazine
CID 64845724
2,2,5-triethyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64841398
2-tert-butyl-5-methyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64844009
2,2,5-trimethyl-1-(4-phenylbutyl)piperazine
CID 114334919
5-cyclohexyl-2,2-dimethyl-1-(thiophen-2-ylmethyl)piperazine
CID 64861167
(5S)-1-benzyl-2,2,5-trimethylpiperazine
CID 94985399
(5R)-1-benzyl-2,2,5-trimethylpiperazine
CID 94985398
5-cyclopropyl-2-ethyl-2,5-dimethyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64878294
8-cyclopropyl-8-methyl-6-(2-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane
CID 64861176
4-bromo-2-methyl-1-(2-thiophen-2-ylethyl)pyrrolidine
CID 130948914
5-bromo-2-methyl-1-(2-thiophen-2-ylethyl)piperidine
CID 130825934

Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethyl-1-(2-thiophen-2-ylethyl)piperazine?
The IUPAC name of 2,2,5-trimethyl-1-(2-thiophen-2-ylethyl)piperazine (CID 64845507) is 2,2,5-trimethyl-1-(2-thiophen-2-ylethyl)piperazine.
What is the SMILES notation for 2,2,5-trimethyl-1-(2-thiophen-2-ylethyl)piperazine?
The canonical SMILES for 2,2,5-trimethyl-1-(2-thiophen-2-ylethyl)piperazine is CC1CN(CCc2cccs2)C(C)(C)CN1.
What is the InChIKey of 2,2,5-trimethyl-1-(2-thiophen-2-ylethyl)piperazine?
The InChIKey is ROOOSEJZGXXEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-11-9-15(13(2,3)10-14-11)7-6-12-5-4-8-16-12/h4-5,8,11,14H,6-7,9-10H2,1-3H3.
What are the key properties of 2,2,5-trimethyl-1-(2-thiophen-2-ylethyl)piperazine?
2,2,5-trimethyl-1-(2-thiophen-2-ylethyl)piperazine has a molecular weight of 238.40 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethyl-1-(2-thiophen-2-ylethyl)piperazine is sourced from PubChem (CID 64845507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).