1-[(2-ethyl-5-methylphenyl)methyl]piperazine

C14H22N2 — CID 117311481

IUPAC1-[(2-ethyl-5-methylphenyl)methyl]piperazine
SMILESCCc1ccc(C)cc1CN1CCNCC1
InChIInChI=1S/C14H22N2/c1-3-13-5-4-12(2)10-14(13)11-16-8-6-15-7-9-16/h4-5,10,15H,3,6-9,11H2,1-2H3
InChIKeyWKIFWSNWNPVFPA-UHFFFAOYSA-N
MW218.34 g/mol
LogP1.96
Rot. Bonds3

About 1-[(2-ethyl-5-methylphenyl)methyl]piperazine

1-[(2-ethyl-5-methylphenyl)methyl]piperazine (PubChem CID 117311481) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-[(2-ethyl-5-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2-ethyl-5-methylphenyl)methyl]piperazine
PubChem CID117311481
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-[(2-ethyl-5-methylphenyl)methyl]piperazine
SMILESCCc1ccc(C)cc1CN1CCNCC1
InChIInChI=1S/C14H22N2/c1-3-13-5-4-12(2)10-14(13)11-16-8-6-15-7-9-16/h4-5,10,15H,3,6-9,11H2,1-2H3
InChIKeyWKIFWSNWNPVFPA-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2-(piperazin-1-ylmethyl)phenol
CID 82610699
1-[(2-ethylphenyl)methyl]piperazine
CID 62415674
1-[(2-ethoxy-5-methylphenyl)methyl]piperazine
CID 82263437
1-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperazine
CID 84701977
2-[5-methyl-2-(piperazin-1-ylmethyl)phenyl]-2-oxoacetic acid
CID 130455530
5-[5-methyl-2-(piperazin-1-ylmethyl)phenyl]pentanoic acid
CID 134509442
2-ethyl-6-(piperazin-1-ylmethyl)aniline
CID 82509243
1-[[5-methyl-2-(2-methylpropylsulfanyl)phenyl]methyl]piperazine
CID 82265042
5-methyl-3-(piperazin-1-ylmethyl)-1H-pyridin-2-one
CID 82507416
5-methyl-3-(piperazin-1-ylmethyl)-1H-indole
CID 82277559
1-ethyl-5-methyl-3-(piperazin-1-ylmethyl)indole
CID 117185174
1-[(4-ethyl-3-fluorophenyl)methyl]piperazine
CID 122519320

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-5-methylphenyl)methyl]piperazine?
The IUPAC name of 1-[(2-ethyl-5-methylphenyl)methyl]piperazine (CID 117311481) is 1-[(2-ethyl-5-methylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2-ethyl-5-methylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(2-ethyl-5-methylphenyl)methyl]piperazine is CCc1ccc(C)cc1CN1CCNCC1.
What is the InChIKey of 1-[(2-ethyl-5-methylphenyl)methyl]piperazine?
The InChIKey is WKIFWSNWNPVFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-13-5-4-12(2)10-14(13)11-16-8-6-15-7-9-16/h4-5,10,15H,3,6-9,11H2,1-2H3.
What are the key properties of 1-[(2-ethyl-5-methylphenyl)methyl]piperazine?
1-[(2-ethyl-5-methylphenyl)methyl]piperazine has a molecular weight of 218.34 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-5-methylphenyl)methyl]piperazine is sourced from PubChem (CID 117311481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).