1-[(2,4-dimethylphenyl)methyl]-4-ethylpiperazine

C15H24N2 — CID 792360

IUPAC1-[(2,4-dimethylphenyl)methyl]-4-ethylpiperazine
SMILESCCN1CCN(Cc2ccc(C)cc2C)CC1
InChIInChI=1S/C15H24N2/c1-4-16-7-9-17(10-8-16)12-15-6-5-13(2)11-14(15)3/h5-6,11H,4,7-10,12H2,1-3H3
InChIKeyQOXVUSZFKHKMBH-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.44
Rot. Bonds3

About 1-[(2,4-dimethylphenyl)methyl]-4-ethylpiperazine

1-[(2,4-dimethylphenyl)methyl]-4-ethylpiperazine (PubChem CID 792360) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-[(2,4-dimethylphenyl)methyl]-4-ethylpiperazine.

Molecular Properties

Compound Name1-[(2,4-dimethylphenyl)methyl]-4-ethylpiperazine
PubChem CID792360
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-[(2,4-dimethylphenyl)methyl]-4-ethylpiperazine
SMILESCCN1CCN(Cc2ccc(C)cc2C)CC1
InChIInChI=1S/C15H24N2/c1-4-16-7-9-17(10-8-16)12-15-6-5-13(2)11-14(15)3/h5-6,11H,4,7-10,12H2,1-3H3
InChIKeyQOXVUSZFKHKMBH-UHFFFAOYSA-N
XLogP2.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethylphenyl)methyl]-4-ethylpiperazine?
The IUPAC name of 1-[(2,4-dimethylphenyl)methyl]-4-ethylpiperazine (CID 792360) is 1-[(2,4-dimethylphenyl)methyl]-4-ethylpiperazine.
What is the SMILES notation for 1-[(2,4-dimethylphenyl)methyl]-4-ethylpiperazine?
The canonical SMILES for 1-[(2,4-dimethylphenyl)methyl]-4-ethylpiperazine is CCN1CCN(Cc2ccc(C)cc2C)CC1.
What is the InChIKey of 1-[(2,4-dimethylphenyl)methyl]-4-ethylpiperazine?
The InChIKey is QOXVUSZFKHKMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-4-16-7-9-17(10-8-16)12-15-6-5-13(2)11-14(15)3/h5-6,11H,4,7-10,12H2,1-3H3.
What are the key properties of 1-[(2,4-dimethylphenyl)methyl]-4-ethylpiperazine?
1-[(2,4-dimethylphenyl)methyl]-4-ethylpiperazine has a molecular weight of 232.37 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethylphenyl)methyl]-4-ethylpiperazine is sourced from PubChem (CID 792360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).