2-ethyl-5-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine

C17H28N2S — CID 64940772

IUPAC2-ethyl-5-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine
SMILESCCCC1CN(C2CCCc3sccc32)C(CC)CN1
InChIInChI=1S/C17H28N2S/c1-3-6-13-12-19(14(4-2)11-18-13)16-7-5-8-17-15(16)9-10-20-17/h9-10,13-14,16,18H,3-8,11-12H2,1-2H3
InChIKeyZLZWSJMLTHHVFG-UHFFFAOYSA-N
MW292.49 g/mol
LogP3.98
Rot. Bonds4

About 2-ethyl-5-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine

2-ethyl-5-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine (PubChem CID 64940772) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is 2-ethyl-5-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine.

Molecular Properties

Compound Name2-ethyl-5-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine
PubChem CID64940772
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC Name2-ethyl-5-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine
SMILESCCCC1CN(C2CCCc3sccc32)C(CC)CN1
InChIInChI=1S/C17H28N2S/c1-3-6-13-12-19(14(4-2)11-18-13)16-7-5-8-17-15(16)9-10-20-17/h9-10,13-14,16,18H,3-8,11-12H2,1-2H3
InChIKeyZLZWSJMLTHHVFG-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine?
The IUPAC name of 2-ethyl-5-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine (CID 64940772) is 2-ethyl-5-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine.
What is the SMILES notation for 2-ethyl-5-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine?
The canonical SMILES for 2-ethyl-5-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine is CCCC1CN(C2CCCc3sccc32)C(CC)CN1.
What is the InChIKey of 2-ethyl-5-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine?
The InChIKey is ZLZWSJMLTHHVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-3-6-13-12-19(14(4-2)11-18-13)16-7-5-8-17-15(16)9-10-20-17/h9-10,13-14,16,18H,3-8,11-12H2,1-2H3.
What are the key properties of 2-ethyl-5-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine?
2-ethyl-5-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine has a molecular weight of 292.49 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperazine is sourced from PubChem (CID 64940772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).