1-(3,4-dimethylphenyl)-3-ethyl-3-methylpiperazine

C15H24N2 — CID 64926797

IUPAC1-(3,4-dimethylphenyl)-3-ethyl-3-methylpiperazine
SMILESCCC1(C)CN(c2ccc(C)c(C)c2)CCN1
InChIInChI=1S/C15H24N2/c1-5-15(4)11-17(9-8-16-15)14-7-6-12(2)13(3)10-14/h6-7,10,16H,5,8-9,11H2,1-4H3
InChIKeyFNNQVVTXYJADKF-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.88
Rot. Bonds2

About 1-(3,4-dimethylphenyl)-3-ethyl-3-methylpiperazine

1-(3,4-dimethylphenyl)-3-ethyl-3-methylpiperazine (PubChem CID 64926797) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-ethyl-3-methylpiperazine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-ethyl-3-methylpiperazine
PubChem CID64926797
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-(3,4-dimethylphenyl)-3-ethyl-3-methylpiperazine
SMILESCCC1(C)CN(c2ccc(C)c(C)c2)CCN1
InChIInChI=1S/C15H24N2/c1-5-15(4)11-17(9-8-16-15)14-7-6-12(2)13(3)10-14/h6-7,10,16H,5,8-9,11H2,1-4H3
InChIKeyFNNQVVTXYJADKF-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-ethyl-3-methylpiperazine?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-ethyl-3-methylpiperazine (CID 64926797) is 1-(3,4-dimethylphenyl)-3-ethyl-3-methylpiperazine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-ethyl-3-methylpiperazine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-ethyl-3-methylpiperazine is CCC1(C)CN(c2ccc(C)c(C)c2)CCN1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-ethyl-3-methylpiperazine?
The InChIKey is FNNQVVTXYJADKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-5-15(4)11-17(9-8-16-15)14-7-6-12(2)13(3)10-14/h6-7,10,16H,5,8-9,11H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-3-ethyl-3-methylpiperazine?
1-(3,4-dimethylphenyl)-3-ethyl-3-methylpiperazine has a molecular weight of 232.37 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-ethyl-3-methylpiperazine is sourced from PubChem (CID 64926797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).