1-(4-ethyl-2,3-dimethylphenyl)piperazine

C14H22N2 — CID 138531661

IUPAC1-(4-ethyl-2,3-dimethylphenyl)piperazine
SMILESCCc1ccc(N2CCNCC2)c(C)c1C
InChIInChI=1S/C14H22N2/c1-4-13-5-6-14(12(3)11(13)2)16-9-7-15-8-10-16/h5-6,15H,4,7-10H2,1-3H3
InChIKeyZBHZWGZGLAIGRB-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.28
Rot. Bonds2

About 1-(4-ethyl-2,3-dimethylphenyl)piperazine

1-(4-ethyl-2,3-dimethylphenyl)piperazine (PubChem CID 138531661) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(4-ethyl-2,3-dimethylphenyl)piperazine.

Molecular Properties

Compound Name1-(4-ethyl-2,3-dimethylphenyl)piperazine
PubChem CID138531661
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-(4-ethyl-2,3-dimethylphenyl)piperazine
SMILESCCc1ccc(N2CCNCC2)c(C)c1C
InChIInChI=1S/C14H22N2/c1-4-13-5-6-14(12(3)11(13)2)16-9-7-15-8-10-16/h5-6,15H,4,7-10H2,1-3H3
InChIKeyZBHZWGZGLAIGRB-UHFFFAOYSA-N
XLogP2.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-2,3-dimethylphenyl)piperazine?
The IUPAC name of 1-(4-ethyl-2,3-dimethylphenyl)piperazine (CID 138531661) is 1-(4-ethyl-2,3-dimethylphenyl)piperazine.
What is the SMILES notation for 1-(4-ethyl-2,3-dimethylphenyl)piperazine?
The canonical SMILES for 1-(4-ethyl-2,3-dimethylphenyl)piperazine is CCc1ccc(N2CCNCC2)c(C)c1C.
What is the InChIKey of 1-(4-ethyl-2,3-dimethylphenyl)piperazine?
The InChIKey is ZBHZWGZGLAIGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-4-13-5-6-14(12(3)11(13)2)16-9-7-15-8-10-16/h5-6,15H,4,7-10H2,1-3H3.
What are the key properties of 1-(4-ethyl-2,3-dimethylphenyl)piperazine?
1-(4-ethyl-2,3-dimethylphenyl)piperazine has a molecular weight of 218.34 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-2,3-dimethylphenyl)piperazine is sourced from PubChem (CID 138531661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).