5-ethyl-2-methyl-1-(1-thiophen-2-ylpropyl)piperazine

C14H24N2S — CID 64948011

IUPAC5-ethyl-2-methyl-1-(1-thiophen-2-ylpropyl)piperazine
SMILESCCC1CN(C(CC)c2cccs2)C(C)CN1
InChIInChI=1S/C14H24N2S/c1-4-12-10-16(11(3)9-15-12)13(5-2)14-7-6-8-17-14/h6-8,11-13,15H,4-5,9-10H2,1-3H3
InChIKeyPVMPJCAXMHDANH-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.27
Rot. Bonds4

About 5-ethyl-2-methyl-1-(1-thiophen-2-ylpropyl)piperazine

5-ethyl-2-methyl-1-(1-thiophen-2-ylpropyl)piperazine (PubChem CID 64948011) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 5-ethyl-2-methyl-1-(1-thiophen-2-ylpropyl)piperazine.

Molecular Properties

Compound Name5-ethyl-2-methyl-1-(1-thiophen-2-ylpropyl)piperazine
PubChem CID64948011
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name5-ethyl-2-methyl-1-(1-thiophen-2-ylpropyl)piperazine
SMILESCCC1CN(C(CC)c2cccs2)C(C)CN1
InChIInChI=1S/C14H24N2S/c1-4-12-10-16(11(3)9-15-12)13(5-2)14-7-6-8-17-14/h6-8,11-13,15H,4-5,9-10H2,1-3H3
InChIKeyPVMPJCAXMHDANH-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 5-ethyl-2-methyl-1-(1-thiophen-2-ylpropyl)piperazine?
The IUPAC name of 5-ethyl-2-methyl-1-(1-thiophen-2-ylpropyl)piperazine (CID 64948011) is 5-ethyl-2-methyl-1-(1-thiophen-2-ylpropyl)piperazine.
What is the SMILES notation for 5-ethyl-2-methyl-1-(1-thiophen-2-ylpropyl)piperazine?
The canonical SMILES for 5-ethyl-2-methyl-1-(1-thiophen-2-ylpropyl)piperazine is CCC1CN(C(CC)c2cccs2)C(C)CN1.
What is the InChIKey of 5-ethyl-2-methyl-1-(1-thiophen-2-ylpropyl)piperazine?
The InChIKey is PVMPJCAXMHDANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-4-12-10-16(11(3)9-15-12)13(5-2)14-7-6-8-17-14/h6-8,11-13,15H,4-5,9-10H2,1-3H3.
What are the key properties of 5-ethyl-2-methyl-1-(1-thiophen-2-ylpropyl)piperazine?
5-ethyl-2-methyl-1-(1-thiophen-2-ylpropyl)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 5-ethyl-2-methyl-1-(1-thiophen-2-ylpropyl)piperazine is sourced from PubChem (CID 64948011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).