2-(4-ethylphenyl)piperazine

C12H18N2 — CID 45036830

IUPAC2-(4-ethylphenyl)piperazine
SMILESCCc1ccc(C2CNCCN2)cc1
InChIInChI=1S/C12H18N2/c1-2-10-3-5-11(6-4-10)12-9-13-7-8-14-12/h3-6,12-14H,2,7-9H2,1H3
InChIKeyXXPMLIBLWBCOEI-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.48
Rot. Bonds2

About 2-(4-ethylphenyl)piperazine

2-(4-ethylphenyl)piperazine (PubChem CID 45036830) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-(4-ethylphenyl)piperazine.

Molecular Properties

Compound Name2-(4-ethylphenyl)piperazine
PubChem CID45036830
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2-(4-ethylphenyl)piperazine
SMILESCCc1ccc(C2CNCCN2)cc1
InChIInChI=1S/C12H18N2/c1-2-10-3-5-11(6-4-10)12-9-13-7-8-14-12/h3-6,12-14H,2,7-9H2,1H3
InChIKeyXXPMLIBLWBCOEI-UHFFFAOYSA-N
XLogP1.48
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)piperazine?
The IUPAC name of 2-(4-ethylphenyl)piperazine (CID 45036830) is 2-(4-ethylphenyl)piperazine.
What is the SMILES notation for 2-(4-ethylphenyl)piperazine?
The canonical SMILES for 2-(4-ethylphenyl)piperazine is CCc1ccc(C2CNCCN2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)piperazine?
The InChIKey is XXPMLIBLWBCOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-2-10-3-5-11(6-4-10)12-9-13-7-8-14-12/h3-6,12-14H,2,7-9H2,1H3.
What are the key properties of 2-(4-ethylphenyl)piperazine?
2-(4-ethylphenyl)piperazine has a molecular weight of 190.29 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)piperazine is sourced from PubChem (CID 45036830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).