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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Related Compounds

3-ethyl-1-(3-fluoro-4-methylphenyl)-3-methyl-1,4-diazepane
CID 64943895
3-cyclopropyl-1-(3,4-dimethylphenyl)-3-methylpiperazine
CID 64923831
1-(3-bromo-4-iodophenyl)-3-ethyl-3-methylpiperazine
CID 114262418
3-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpiperazine
CID 64926311
1-(2,6-difluoro-3-methylphenyl)-3-ethyl-3-methylpiperazine
CID 82819376
3,3-diethyl-1-(4-methoxy-3-methylphenyl)piperazine
CID 64926715
3-ethyl-3-methyl-1-naphthalen-2-yl-1,4-diazepane
CID 64949149
1-(4-chloro-3-methoxyphenyl)-3-ethyl-3-methyl-1,4-diazepane
CID 107623388
1-(3,4-dimethylphenyl)piperazine;hydrochloride
CID 56766536
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-ethyl-3-methyl-1,4-diazepane
CID 64943675
3-ethyl-3-methyl-1-(3-methylsulfanylphenyl)-1,4-diazepane
CID 64943561
3-cyclopropyl-1-(4-methoxy-3-methylphenyl)-3-methylpiperazine
CID 64926348

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).