2-ethyl-1-(4-methoxyphenyl)-5-(2-methylpropyl)piperazine

C17H28N2O — CID 64930546

IUPAC2-ethyl-1-(4-methoxyphenyl)-5-(2-methylpropyl)piperazine
SMILESCCC1CNC(CC(C)C)CN1c1ccc(OC)cc1
InChIInChI=1S/C17H28N2O/c1-5-15-11-18-14(10-13(2)3)12-19(15)16-6-8-17(20-4)9-7-16/h6-9,13-15,18H,5,10-12H2,1-4H3
InChIKeyQAKNIFJJYHOZBU-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.30
Rot. Bonds5

About 2-ethyl-1-(4-methoxyphenyl)-5-(2-methylpropyl)piperazine

2-ethyl-1-(4-methoxyphenyl)-5-(2-methylpropyl)piperazine (PubChem CID 64930546) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-ethyl-1-(4-methoxyphenyl)-5-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name2-ethyl-1-(4-methoxyphenyl)-5-(2-methylpropyl)piperazine
PubChem CID64930546
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-ethyl-1-(4-methoxyphenyl)-5-(2-methylpropyl)piperazine
SMILESCCC1CNC(CC(C)C)CN1c1ccc(OC)cc1
InChIInChI=1S/C17H28N2O/c1-5-15-11-18-14(10-13(2)3)12-19(15)16-6-8-17(20-4)9-7-16/h6-9,13-15,18H,5,10-12H2,1-4H3
InChIKeyQAKNIFJJYHOZBU-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

2-ethyl-1-(4-methoxyphenyl)-5-propan-2-ylpiperazine
CID 64954255
2-ethyl-1-[(4-methoxyphenyl)methyl]-5-(2-methylpropyl)piperazine
CID 64848535
2-ethyl-1-(2-methoxyphenyl)-5-(2-methylpropyl)piperazine
CID 64932153
2-ethyl-1-(3-iodophenyl)-5-(2-methylpropyl)piperazine
CID 64934538
2-ethyl-1-(4-fluoro-2-methoxyphenyl)-5-(2-methylpropyl)piperazine
CID 64945930
1-(4-ethoxyphenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 64930366
1-(2,6-dibromophenyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 107603860
1-(4-ethylphenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64930058
2-ethyl-1-[(3-methoxyphenyl)methyl]-5-(2-methylpropyl)piperazine
CID 64849307
2,5-diethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine
CID 64977794
2-ethyl-1-(2-fluoro-4-methylphenyl)-5-(2-methylpropyl)piperazine
CID 64934982
1-(3-chloro-2-methylphenyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 64936226

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-methoxyphenyl)-5-(2-methylpropyl)piperazine?
The IUPAC name of 2-ethyl-1-(4-methoxyphenyl)-5-(2-methylpropyl)piperazine (CID 64930546) is 2-ethyl-1-(4-methoxyphenyl)-5-(2-methylpropyl)piperazine.
What is the SMILES notation for 2-ethyl-1-(4-methoxyphenyl)-5-(2-methylpropyl)piperazine?
The canonical SMILES for 2-ethyl-1-(4-methoxyphenyl)-5-(2-methylpropyl)piperazine is CCC1CNC(CC(C)C)CN1c1ccc(OC)cc1.
What is the InChIKey of 2-ethyl-1-(4-methoxyphenyl)-5-(2-methylpropyl)piperazine?
The InChIKey is QAKNIFJJYHOZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-15-11-18-14(10-13(2)3)12-19(15)16-6-8-17(20-4)9-7-16/h6-9,13-15,18H,5,10-12H2,1-4H3.
What are the key properties of 2-ethyl-1-(4-methoxyphenyl)-5-(2-methylpropyl)piperazine?
2-ethyl-1-(4-methoxyphenyl)-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 2-ethyl-1-(4-methoxyphenyl)-5-(2-methylpropyl)piperazine is sourced from PubChem (CID 64930546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).