2-ethyl-5-propan-2-yl-1-(1-thiophen-2-ylpropyl)piperazine

C16H28N2S — CID 64937948

IUPAC2-ethyl-5-propan-2-yl-1-(1-thiophen-2-ylpropyl)piperazine
SMILESCCC1CNC(C(C)C)CN1C(CC)c1cccs1
InChIInChI=1S/C16H28N2S/c1-5-13-10-17-14(12(3)4)11-18(13)15(6-2)16-8-7-9-19-16/h7-9,12-15,17H,5-6,10-11H2,1-4H3
InChIKeyFYYUIHQZZZGCEI-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.91
Rot. Bonds5

About 2-ethyl-5-propan-2-yl-1-(1-thiophen-2-ylpropyl)piperazine

2-ethyl-5-propan-2-yl-1-(1-thiophen-2-ylpropyl)piperazine (PubChem CID 64937948) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 2-ethyl-5-propan-2-yl-1-(1-thiophen-2-ylpropyl)piperazine.

Molecular Properties

Compound Name2-ethyl-5-propan-2-yl-1-(1-thiophen-2-ylpropyl)piperazine
PubChem CID64937948
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name2-ethyl-5-propan-2-yl-1-(1-thiophen-2-ylpropyl)piperazine
SMILESCCC1CNC(C(C)C)CN1C(CC)c1cccs1
InChIInChI=1S/C16H28N2S/c1-5-13-10-17-14(12(3)4)11-18(13)15(6-2)16-8-7-9-19-16/h7-9,12-15,17H,5-6,10-11H2,1-4H3
InChIKeyFYYUIHQZZZGCEI-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-propan-2-yl-1-(1-thiophen-2-ylpropyl)piperazine?
The IUPAC name of 2-ethyl-5-propan-2-yl-1-(1-thiophen-2-ylpropyl)piperazine (CID 64937948) is 2-ethyl-5-propan-2-yl-1-(1-thiophen-2-ylpropyl)piperazine.
What is the SMILES notation for 2-ethyl-5-propan-2-yl-1-(1-thiophen-2-ylpropyl)piperazine?
The canonical SMILES for 2-ethyl-5-propan-2-yl-1-(1-thiophen-2-ylpropyl)piperazine is CCC1CNC(C(C)C)CN1C(CC)c1cccs1.
What is the InChIKey of 2-ethyl-5-propan-2-yl-1-(1-thiophen-2-ylpropyl)piperazine?
The InChIKey is FYYUIHQZZZGCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-5-13-10-17-14(12(3)4)11-18(13)15(6-2)16-8-7-9-19-16/h7-9,12-15,17H,5-6,10-11H2,1-4H3.
What are the key properties of 2-ethyl-5-propan-2-yl-1-(1-thiophen-2-ylpropyl)piperazine?
2-ethyl-5-propan-2-yl-1-(1-thiophen-2-ylpropyl)piperazine has a molecular weight of 280.48 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-propan-2-yl-1-(1-thiophen-2-ylpropyl)piperazine is sourced from PubChem (CID 64937948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).