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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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).