1-(2-ethyl-4,6-dimethylphenyl)piperazine

C14H22N2 — CID 59119296

IUPAC1-(2-ethyl-4,6-dimethylphenyl)piperazine
SMILESCCc1cc(C)cc(C)c1N1CCNCC1
InChIInChI=1S/C14H22N2/c1-4-13-10-11(2)9-12(3)14(13)16-7-5-15-6-8-16/h9-10,15H,4-8H2,1-3H3
InChIKeySXCPPWISOGHNSQ-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.28
Rot. Bonds2

About 1-(2-ethyl-4,6-dimethylphenyl)piperazine

1-(2-ethyl-4,6-dimethylphenyl)piperazine (PubChem CID 59119296) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(2-ethyl-4,6-dimethylphenyl)piperazine.

Molecular Properties

Compound Name1-(2-ethyl-4,6-dimethylphenyl)piperazine
PubChem CID59119296
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-(2-ethyl-4,6-dimethylphenyl)piperazine
SMILESCCc1cc(C)cc(C)c1N1CCNCC1
InChIInChI=1S/C14H22N2/c1-4-13-10-11(2)9-12(3)14(13)16-7-5-15-6-8-16/h9-10,15H,4-8H2,1-3H3
InChIKeySXCPPWISOGHNSQ-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

Analyze 1-(2-ethyl-4,6-dimethylphenyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-4,6-dimethylphenyl)piperazine?
The IUPAC name of 1-(2-ethyl-4,6-dimethylphenyl)piperazine (CID 59119296) is 1-(2-ethyl-4,6-dimethylphenyl)piperazine.
What is the SMILES notation for 1-(2-ethyl-4,6-dimethylphenyl)piperazine?
The canonical SMILES for 1-(2-ethyl-4,6-dimethylphenyl)piperazine is CCc1cc(C)cc(C)c1N1CCNCC1.
What is the InChIKey of 1-(2-ethyl-4,6-dimethylphenyl)piperazine?
The InChIKey is SXCPPWISOGHNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-4-13-10-11(2)9-12(3)14(13)16-7-5-15-6-8-16/h9-10,15H,4-8H2,1-3H3.
What are the key properties of 1-(2-ethyl-4,6-dimethylphenyl)piperazine?
1-(2-ethyl-4,6-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-(2-ethyl-4,6-dimethylphenyl)piperazine is sourced from PubChem (CID 59119296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).