3,3-diethyl-1-(1-thiophen-3-ylethyl)piperazine

C14H24N2S — CID 64954383

IUPAC3,3-diethyl-1-(1-thiophen-3-ylethyl)piperazine
SMILESCCC1(CC)CN(C(C)c2ccsc2)CCN1
InChIInChI=1S/C14H24N2S/c1-4-14(5-2)11-16(8-7-15-14)12(3)13-6-9-17-10-13/h6,9-10,12,15H,4-5,7-8,11H2,1-3H3
InChIKeyRNNHIRPLHCVTSU-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.27
Rot. Bonds4

About 3,3-diethyl-1-(1-thiophen-3-ylethyl)piperazine

3,3-diethyl-1-(1-thiophen-3-ylethyl)piperazine (PubChem CID 64954383) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 3,3-diethyl-1-(1-thiophen-3-ylethyl)piperazine.

Molecular Properties

Compound Name3,3-diethyl-1-(1-thiophen-3-ylethyl)piperazine
PubChem CID64954383
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name3,3-diethyl-1-(1-thiophen-3-ylethyl)piperazine
SMILESCCC1(CC)CN(C(C)c2ccsc2)CCN1
InChIInChI=1S/C14H24N2S/c1-4-14(5-2)11-16(8-7-15-14)12(3)13-6-9-17-10-13/h6,9-10,12,15H,4-5,7-8,11H2,1-3H3
InChIKeyRNNHIRPLHCVTSU-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-3-methyl-1-(1-thiophen-3-ylethyl)piperazine
CID 64953980
1-[(1S)-1-thiophen-3-ylethyl]piperazine;dihydrochloride
CID 171280726
1-(1-thiophen-3-ylethyl)pyrrolidine-2,3-dione
CID 62841900
1-[(1S)-1-thiophen-3-ylpropyl]piperazine
CID 131188138
N-propyl-1-(1-thiophen-3-ylethyl)piperidin-4-amine
CID 55126416
3-butan-2-yl-1-(1-thiophen-3-ylethyl)-1,4-diazepane
CID 64950770
3,3-diethyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64969673
1-(1-thiophen-3-ylethyl)piperidin-4-amine
CID 62089674
[1-(1-thiophen-3-ylethyl)piperidin-4-yl]methanamine
CID 62090353
3,3-diethyl-1-(2-methyl-1-thiophen-2-ylpropyl)-1,4-diazepane
CID 64944638
2-[3-methyl-1-(1-thiophen-3-ylethyl)azetidin-3-yl]oxyacetic acid
CID 102660105
3-methyl-3-phenyl-1-(1-phenylethyl)piperazine
CID 64926177

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-(1-thiophen-3-ylethyl)piperazine?
The IUPAC name of 3,3-diethyl-1-(1-thiophen-3-ylethyl)piperazine (CID 64954383) is 3,3-diethyl-1-(1-thiophen-3-ylethyl)piperazine.
What is the SMILES notation for 3,3-diethyl-1-(1-thiophen-3-ylethyl)piperazine?
The canonical SMILES for 3,3-diethyl-1-(1-thiophen-3-ylethyl)piperazine is CCC1(CC)CN(C(C)c2ccsc2)CCN1.
What is the InChIKey of 3,3-diethyl-1-(1-thiophen-3-ylethyl)piperazine?
The InChIKey is RNNHIRPLHCVTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-4-14(5-2)11-16(8-7-15-14)12(3)13-6-9-17-10-13/h6,9-10,12,15H,4-5,7-8,11H2,1-3H3.
What are the key properties of 3,3-diethyl-1-(1-thiophen-3-ylethyl)piperazine?
3,3-diethyl-1-(1-thiophen-3-ylethyl)piperazine has a molecular weight of 252.43 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-(1-thiophen-3-ylethyl)piperazine is sourced from PubChem (CID 64954383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).