2,5-diethyl-5-methyl-1-thiophen-3-ylpiperazine

C13H22N2S — CID 66355426

IUPAC2,5-diethyl-5-methyl-1-thiophen-3-ylpiperazine
SMILESCCC1CNC(C)(CC)CN1c1ccsc1
InChIInChI=1S/C13H22N2S/c1-4-11-8-14-13(3,5-2)10-15(11)12-6-7-16-9-12/h6-7,9,11,14H,4-5,8,10H2,1-3H3
InChIKeyLFVYCIFDQOPTCT-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.11
Rot. Bonds3

About 2,5-diethyl-5-methyl-1-thiophen-3-ylpiperazine

2,5-diethyl-5-methyl-1-thiophen-3-ylpiperazine (PubChem CID 66355426) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 2,5-diethyl-5-methyl-1-thiophen-3-ylpiperazine.

Molecular Properties

Compound Name2,5-diethyl-5-methyl-1-thiophen-3-ylpiperazine
PubChem CID66355426
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name2,5-diethyl-5-methyl-1-thiophen-3-ylpiperazine
SMILESCCC1CNC(C)(CC)CN1c1ccsc1
InChIInChI=1S/C13H22N2S/c1-4-11-8-14-13(3,5-2)10-15(11)12-6-7-16-9-12/h6-7,9,11,14H,4-5,8,10H2,1-3H3
InChIKeyLFVYCIFDQOPTCT-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-5-methyl-2-phenyl-1-thiophen-3-ylpiperazine
CID 66355212
1-(4-ethoxyphenyl)-2,5-diethyl-5-methylpiperazine
CID 64930171
2,5-diethyl-5-methyl-1-[4-(trifluoromethyl)phenyl]piperazine
CID 64931968
1-(4-bromo-3,5-dimethylphenyl)-2,5-diethyl-5-methylpiperazine
CID 107579892
1-(3-chloro-4-fluorophenyl)-2,5-diethyl-5-methylpiperazine
CID 64934524
2,5-diethyl-1-(2-fluorophenyl)-5-methylpiperazine
CID 64932869
5,5-diethyl-2-methyl-1-thiophen-3-ylpiperazine
CID 66353525
6-(2,5-diethyl-5-methylpiperazin-1-yl)quinoline
CID 64941343
1-(2,5-dichlorophenyl)-2,5-diethyl-5-methylpiperazine
CID 64935058
1-(2,5-dibromophenyl)-2,5-diethyl-5-methylpiperazine
CID 64933819
2-ethyl-5-propan-2-yl-1-thiophen-3-ylpiperazine
CID 66354997
1-(5-bromo-2-methylphenyl)-2,5-diethyl-5-methylpiperazine
CID 64934365

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-5-methyl-1-thiophen-3-ylpiperazine?
The IUPAC name of 2,5-diethyl-5-methyl-1-thiophen-3-ylpiperazine (CID 66355426) is 2,5-diethyl-5-methyl-1-thiophen-3-ylpiperazine.
What is the SMILES notation for 2,5-diethyl-5-methyl-1-thiophen-3-ylpiperazine?
The canonical SMILES for 2,5-diethyl-5-methyl-1-thiophen-3-ylpiperazine is CCC1CNC(C)(CC)CN1c1ccsc1.
What is the InChIKey of 2,5-diethyl-5-methyl-1-thiophen-3-ylpiperazine?
The InChIKey is LFVYCIFDQOPTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-4-11-8-14-13(3,5-2)10-15(11)12-6-7-16-9-12/h6-7,9,11,14H,4-5,8,10H2,1-3H3.
What are the key properties of 2,5-diethyl-5-methyl-1-thiophen-3-ylpiperazine?
2,5-diethyl-5-methyl-1-thiophen-3-ylpiperazine has a molecular weight of 238.40 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-5-methyl-1-thiophen-3-ylpiperazine is sourced from PubChem (CID 66355426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).