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

C14H22N2O — CID 82263437

IUPAC1-[(2-ethoxy-5-methylphenyl)methyl]piperazine
SMILESCCOc1ccc(C)cc1CN1CCNCC1
InChIInChI=1S/C14H22N2O/c1-3-17-14-5-4-12(2)10-13(14)11-16-8-6-15-7-9-16/h4-5,10,15H,3,6-9,11H2,1-2H3
InChIKeyGQCBSYYKIUHPJT-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.80
Rot. Bonds4

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

1-[(2-ethoxy-5-methylphenyl)methyl]piperazine (PubChem CID 82263437) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[(2-ethoxy-5-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2-ethoxy-5-methylphenyl)methyl]piperazine
PubChem CID82263437
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[(2-ethoxy-5-methylphenyl)methyl]piperazine
SMILESCCOc1ccc(C)cc1CN1CCNCC1
InChIInChI=1S/C14H22N2O/c1-3-17-14-5-4-12(2)10-13(14)11-16-8-6-15-7-9-16/h4-5,10,15H,3,6-9,11H2,1-2H3
InChIKeyGQCBSYYKIUHPJT-UHFFFAOYSA-N
XLogP1.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-ethyl-5-methylphenyl)methyl]piperazine
CID 117311481
1-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperazine
CID 84701977
1-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]piperazine
CID 82305365
4-(2-ethoxy-5-methylphenyl)-1-piperazin-1-ylbutan-1-one
CID 83933648
5-methyl-2-(piperazin-1-ylmethyl)phenol
CID 82610699
1-[2-[2-(cyclobutylmethoxy)-5-methylphenyl]ethyl]piperazine
CID 117466165
1-[(2-ethoxy-3,4-dimethylphenyl)methyl]piperazine
CID 117374509
1-[2-(2-methoxy-5-methylphenyl)ethyl]piperazine
CID 82083196
1-[2-(5-bromo-2-ethoxyphenyl)ethyl]piperazine
CID 82263455
[2-ethoxy-4-(piperazin-1-ylmethyl)phenyl]methanamine
CID 84754915
2-ethoxy-4-(piperazin-1-ylmethyl)phenol
CID 54914762
1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperazine
CID 117450901

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxy-5-methylphenyl)methyl]piperazine?
The IUPAC name of 1-[(2-ethoxy-5-methylphenyl)methyl]piperazine (CID 82263437) is 1-[(2-ethoxy-5-methylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2-ethoxy-5-methylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(2-ethoxy-5-methylphenyl)methyl]piperazine is CCOc1ccc(C)cc1CN1CCNCC1.
What is the InChIKey of 1-[(2-ethoxy-5-methylphenyl)methyl]piperazine?
The InChIKey is GQCBSYYKIUHPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-17-14-5-4-12(2)10-13(14)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-ethoxy-5-methylphenyl)methyl]piperazine?
1-[(2-ethoxy-5-methylphenyl)methyl]piperazine has a molecular weight of 234.34 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxy-5-methylphenyl)methyl]piperazine is sourced from PubChem (CID 82263437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).