1-methyl-2-[(2,3,4-trimethylphenyl)methyl]piperazine

C15H24N2 — CID 116928083

IUPAC1-methyl-2-[(2,3,4-trimethylphenyl)methyl]piperazine
SMILESCc1ccc(CC2CNCCN2C)c(C)c1C
InChIInChI=1S/C15H24N2/c1-11-5-6-14(13(3)12(11)2)9-15-10-16-7-8-17(15)4/h5-6,15-16H,7-10H2,1-4H3
InChIKeyYUKXBTNCVDIPJI-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.06
Rot. Bonds2

About 1-methyl-2-[(2,3,4-trimethylphenyl)methyl]piperazine

1-methyl-2-[(2,3,4-trimethylphenyl)methyl]piperazine (PubChem CID 116928083) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-methyl-2-[(2,3,4-trimethylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-methyl-2-[(2,3,4-trimethylphenyl)methyl]piperazine
PubChem CID116928083
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-methyl-2-[(2,3,4-trimethylphenyl)methyl]piperazine
SMILESCc1ccc(CC2CNCCN2C)c(C)c1C
InChIInChI=1S/C15H24N2/c1-11-5-6-14(13(3)12(11)2)9-15-10-16-7-8-17(15)4/h5-6,15-16H,7-10H2,1-4H3
InChIKeyYUKXBTNCVDIPJI-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(2,3,4-trimethylphenyl)methyl]piperazine?
The IUPAC name of 1-methyl-2-[(2,3,4-trimethylphenyl)methyl]piperazine (CID 116928083) is 1-methyl-2-[(2,3,4-trimethylphenyl)methyl]piperazine.
What is the SMILES notation for 1-methyl-2-[(2,3,4-trimethylphenyl)methyl]piperazine?
The canonical SMILES for 1-methyl-2-[(2,3,4-trimethylphenyl)methyl]piperazine is Cc1ccc(CC2CNCCN2C)c(C)c1C.
What is the InChIKey of 1-methyl-2-[(2,3,4-trimethylphenyl)methyl]piperazine?
The InChIKey is YUKXBTNCVDIPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-11-5-6-14(13(3)12(11)2)9-15-10-16-7-8-17(15)4/h5-6,15-16H,7-10H2,1-4H3.
What are the key properties of 1-methyl-2-[(2,3,4-trimethylphenyl)methyl]piperazine?
1-methyl-2-[(2,3,4-trimethylphenyl)methyl]piperazine has a molecular weight of 232.37 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(2,3,4-trimethylphenyl)methyl]piperazine is sourced from PubChem (CID 116928083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).