2-ethyl-5-(2-methylpropyl)-1-(2-thiophen-3-ylethyl)piperazine

C16H28N2S — CID 64849303

IUPAC2-ethyl-5-(2-methylpropyl)-1-(2-thiophen-3-ylethyl)piperazine
SMILESCCC1CNC(CC(C)C)CN1CCc1ccsc1
InChIInChI=1S/C16H28N2S/c1-4-16-10-17-15(9-13(2)3)11-18(16)7-5-14-6-8-19-12-14/h6,8,12-13,15-17H,4-5,7,9-11H2,1-3H3
InChIKeyLZLYFGPHKAUIDJ-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.39
Rot. Bonds6

About 2-ethyl-5-(2-methylpropyl)-1-(2-thiophen-3-ylethyl)piperazine

2-ethyl-5-(2-methylpropyl)-1-(2-thiophen-3-ylethyl)piperazine (PubChem CID 64849303) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 2-ethyl-5-(2-methylpropyl)-1-(2-thiophen-3-ylethyl)piperazine.

Molecular Properties

Compound Name2-ethyl-5-(2-methylpropyl)-1-(2-thiophen-3-ylethyl)piperazine
PubChem CID64849303
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name2-ethyl-5-(2-methylpropyl)-1-(2-thiophen-3-ylethyl)piperazine
SMILESCCC1CNC(CC(C)C)CN1CCc1ccsc1
InChIInChI=1S/C16H28N2S/c1-4-16-10-17-15(9-13(2)3)11-18(16)7-5-14-6-8-19-12-14/h6,8,12-13,15-17H,4-5,7,9-11H2,1-3H3
InChIKeyLZLYFGPHKAUIDJ-UHFFFAOYSA-N
XLogP3.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-[(4-ethylphenyl)methyl]-5-(2-methylpropyl)piperazine
CID 64849498
2-ethyl-1-(5-methylhexyl)-5-(2-methylpropyl)piperazine
CID 115327036
2-ethyl-1-heptyl-5-(2-methylpropyl)piperazine
CID 64848724
4-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 64939479
2-ethyl-1-[(4-methoxyphenyl)methyl]-5-(2-methylpropyl)piperazine
CID 64848535
1-(2-cyclopentylethyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 64934770
5-cyclopropyl-2-ethyl-5-methyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64875957
2-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-5-(2-methylpropyl)piperazine
CID 64849690
8-(2-methylpropyl)-9-(2-thiophen-3-ylethyl)-6,9-diazaspiro[4.5]decane
CID 64876228
2-ethyl-1-(3-ethylsulfonylpropyl)-5-(2-methylpropyl)piperazine
CID 65097214
2-ethyl-1-(2-ethylbutyl)-5-(2-methylpropyl)piperazine
CID 82925413
2,5-ditert-butyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64840895

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(2-methylpropyl)-1-(2-thiophen-3-ylethyl)piperazine?
The IUPAC name of 2-ethyl-5-(2-methylpropyl)-1-(2-thiophen-3-ylethyl)piperazine (CID 64849303) is 2-ethyl-5-(2-methylpropyl)-1-(2-thiophen-3-ylethyl)piperazine.
What is the SMILES notation for 2-ethyl-5-(2-methylpropyl)-1-(2-thiophen-3-ylethyl)piperazine?
The canonical SMILES for 2-ethyl-5-(2-methylpropyl)-1-(2-thiophen-3-ylethyl)piperazine is CCC1CNC(CC(C)C)CN1CCc1ccsc1.
What is the InChIKey of 2-ethyl-5-(2-methylpropyl)-1-(2-thiophen-3-ylethyl)piperazine?
The InChIKey is LZLYFGPHKAUIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-4-16-10-17-15(9-13(2)3)11-18(16)7-5-14-6-8-19-12-14/h6,8,12-13,15-17H,4-5,7,9-11H2,1-3H3.
What are the key properties of 2-ethyl-5-(2-methylpropyl)-1-(2-thiophen-3-ylethyl)piperazine?
2-ethyl-5-(2-methylpropyl)-1-(2-thiophen-3-ylethyl)piperazine has a molecular weight of 280.48 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(2-methylpropyl)-1-(2-thiophen-3-ylethyl)piperazine is sourced from PubChem (CID 64849303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).