3-methyl-1-[2-(2-methylphenyl)ethyl]piperazine

C14H22N2 — CID 79755831

IUPAC3-methyl-1-[2-(2-methylphenyl)ethyl]piperazine
SMILESCc1ccccc1CCN1CCNC(C)C1
InChIInChI=1S/C14H22N2/c1-12-5-3-4-6-14(12)7-9-16-10-8-15-13(2)11-16/h3-6,13,15H,7-11H2,1-2H3
InChIKeyMBSYFVZDUALTGN-UHFFFAOYSA-N
MW218.34 g/mol
LogP1.83
Rot. Bonds3

About 3-methyl-1-[2-(2-methylphenyl)ethyl]piperazine

3-methyl-1-[2-(2-methylphenyl)ethyl]piperazine (PubChem CID 79755831) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-methyl-1-[2-(2-methylphenyl)ethyl]piperazine.

Molecular Properties

Compound Name3-methyl-1-[2-(2-methylphenyl)ethyl]piperazine
PubChem CID79755831
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name3-methyl-1-[2-(2-methylphenyl)ethyl]piperazine
SMILESCc1ccccc1CCN1CCNC(C)C1
InChIInChI=1S/C14H22N2/c1-12-5-3-4-6-14(12)7-9-16-10-8-15-13(2)11-16/h3-6,13,15H,7-11H2,1-2H3
InChIKeyMBSYFVZDUALTGN-UHFFFAOYSA-N
XLogP1.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(2-methylphenyl)ethyl]piperazine?
The IUPAC name of 3-methyl-1-[2-(2-methylphenyl)ethyl]piperazine (CID 79755831) is 3-methyl-1-[2-(2-methylphenyl)ethyl]piperazine.
What is the SMILES notation for 3-methyl-1-[2-(2-methylphenyl)ethyl]piperazine?
The canonical SMILES for 3-methyl-1-[2-(2-methylphenyl)ethyl]piperazine is Cc1ccccc1CCN1CCNC(C)C1.
What is the InChIKey of 3-methyl-1-[2-(2-methylphenyl)ethyl]piperazine?
The InChIKey is MBSYFVZDUALTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-12-5-3-4-6-14(12)7-9-16-10-8-15-13(2)11-16/h3-6,13,15H,7-11H2,1-2H3.
What are the key properties of 3-methyl-1-[2-(2-methylphenyl)ethyl]piperazine?
3-methyl-1-[2-(2-methylphenyl)ethyl]piperazine has a molecular weight of 218.34 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(2-methylphenyl)ethyl]piperazine is sourced from PubChem (CID 79755831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).