1-(4-ethoxyphenyl)-2-methyl-5-(2-methylpropyl)piperazine

C17H28N2O — CID 64930366

IUPAC1-(4-ethoxyphenyl)-2-methyl-5-(2-methylpropyl)piperazine
SMILESCCOc1ccc(N2CC(CC(C)C)NCC2C)cc1
InChIInChI=1S/C17H28N2O/c1-5-20-17-8-6-16(7-9-17)19-12-15(10-13(2)3)18-11-14(19)4/h6-9,13-15,18H,5,10-12H2,1-4H3
InChIKeyCWWHIWXSUPAGHN-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.30
Rot. Bonds5

About 1-(4-ethoxyphenyl)-2-methyl-5-(2-methylpropyl)piperazine

1-(4-ethoxyphenyl)-2-methyl-5-(2-methylpropyl)piperazine (PubChem CID 64930366) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-methyl-5-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-methyl-5-(2-methylpropyl)piperazine
PubChem CID64930366
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(4-ethoxyphenyl)-2-methyl-5-(2-methylpropyl)piperazine
SMILESCCOc1ccc(N2CC(CC(C)C)NCC2C)cc1
InChIInChI=1S/C17H28N2O/c1-5-20-17-8-6-16(7-9-17)19-12-15(10-13(2)3)18-11-14(19)4/h6-9,13-15,18H,5,10-12H2,1-4H3
InChIKeyCWWHIWXSUPAGHN-UHFFFAOYSA-N
XLogP3.30
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethoxyphenyl)-2,5-dimethylpiperazine
CID 64951879
1-(4-ethylphenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64930058
2-ethyl-1-(4-methoxyphenyl)-5-(2-methylpropyl)piperazine
CID 64930546
1-(4-ethoxyphenyl)-2,5-di(propan-2-yl)piperazine
CID 64952074
1-(4-ethoxyphenyl)-2,5,5-trimethylpiperazine
CID 64930956
2-methyl-5-(2-methylpropyl)-1-(3-methylsulfanylphenyl)piperazine
CID 64934482
1-(2,6-dibromophenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 107603846
1-[1-(4-ethoxyphenyl)ethyl]-2,5-dimethylpiperazine
CID 64979677
5-cyclopropyl-2-methyl-1-(4-propoxyphenyl)piperazine
CID 64946803
2-methyl-5-(2-methylpropyl)-1-(2-methylsulfanylphenyl)piperazine
CID 107646391
1-(2,4-dibromophenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 64946822
1-(2,4-difluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 64930047

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2-methyl-5-(2-methylpropyl)piperazine?
The IUPAC name of 1-(4-ethoxyphenyl)-2-methyl-5-(2-methylpropyl)piperazine (CID 64930366) is 1-(4-ethoxyphenyl)-2-methyl-5-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-methyl-5-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-methyl-5-(2-methylpropyl)piperazine is CCOc1ccc(N2CC(CC(C)C)NCC2C)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-methyl-5-(2-methylpropyl)piperazine?
The InChIKey is CWWHIWXSUPAGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-20-17-8-6-16(7-9-17)19-12-15(10-13(2)3)18-11-14(19)4/h6-9,13-15,18H,5,10-12H2,1-4H3.
What are the key properties of 1-(4-ethoxyphenyl)-2-methyl-5-(2-methylpropyl)piperazine?
1-(4-ethoxyphenyl)-2-methyl-5-(2-methylpropyl)piperazine has a molecular weight of 276.42 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-methyl-5-(2-methylpropyl)piperazine is sourced from PubChem (CID 64930366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).