1-(2-ethylphenyl)piperazine

C12H18N2 — CID 2736460

IUPAC1-(2-ethylphenyl)piperazine
SMILESCCc1ccccc1N1CCNCC1
InChIInChI=1S/C12H18N2/c1-2-11-5-3-4-6-12(11)14-9-7-13-8-10-14/h3-6,13H,2,7-10H2,1H3
InChIKeyLMQFWBCKQMNEEH-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.66
Rot. Bonds2

About 1-(2-ethylphenyl)piperazine

1-(2-ethylphenyl)piperazine (PubChem CID 2736460) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-(2-ethylphenyl)piperazine.

Molecular Properties

Compound Name1-(2-ethylphenyl)piperazine
PubChem CID2736460
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1-(2-ethylphenyl)piperazine
SMILESCCc1ccccc1N1CCNCC1
InChIInChI=1S/C12H18N2/c1-2-11-5-3-4-6-12(11)14-9-7-13-8-10-14/h3-6,13H,2,7-10H2,1H3
InChIKeyLMQFWBCKQMNEEH-UHFFFAOYSA-N
XLogP1.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)piperazine?
The IUPAC name of 1-(2-ethylphenyl)piperazine (CID 2736460) is 1-(2-ethylphenyl)piperazine.
What is the SMILES notation for 1-(2-ethylphenyl)piperazine?
The canonical SMILES for 1-(2-ethylphenyl)piperazine is CCc1ccccc1N1CCNCC1.
What is the InChIKey of 1-(2-ethylphenyl)piperazine?
The InChIKey is LMQFWBCKQMNEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-2-11-5-3-4-6-12(11)14-9-7-13-8-10-14/h3-6,13H,2,7-10H2,1H3.
What are the key properties of 1-(2-ethylphenyl)piperazine?
1-(2-ethylphenyl)piperazine has a molecular weight of 190.29 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)piperazine is sourced from PubChem (CID 2736460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).