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

C17H28N2O — CID 64932153

IUPAC2-ethyl-1-(2-methoxyphenyl)-5-(2-methylpropyl)piperazine
SMILESCCC1CNC(CC(C)C)CN1c1ccccc1OC
InChIInChI=1S/C17H28N2O/c1-5-15-11-18-14(10-13(2)3)12-19(15)16-8-6-7-9-17(16)20-4/h6-9,13-15,18H,5,10-12H2,1-4H3
InChIKeyZRXJKLWAHBKLBW-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.30
Rot. Bonds5

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

2-ethyl-1-(2-methoxyphenyl)-5-(2-methylpropyl)piperazine (PubChem CID 64932153) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-ethyl-1-(2-methoxyphenyl)-5-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name2-ethyl-1-(2-methoxyphenyl)-5-(2-methylpropyl)piperazine
PubChem CID64932153
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-ethyl-1-(2-methoxyphenyl)-5-(2-methylpropyl)piperazine
SMILESCCC1CNC(CC(C)C)CN1c1ccccc1OC
InChIInChI=1S/C17H28N2O/c1-5-15-11-18-14(10-13(2)3)12-19(15)16-8-6-7-9-17(16)20-4/h6-9,13-15,18H,5,10-12H2,1-4H3
InChIKeyZRXJKLWAHBKLBW-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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-methoxyphenyl)-5-(2-methylpropyl)piperazine?
The IUPAC name of 2-ethyl-1-(2-methoxyphenyl)-5-(2-methylpropyl)piperazine (CID 64932153) is 2-ethyl-1-(2-methoxyphenyl)-5-(2-methylpropyl)piperazine.
What is the SMILES notation for 2-ethyl-1-(2-methoxyphenyl)-5-(2-methylpropyl)piperazine?
The canonical SMILES for 2-ethyl-1-(2-methoxyphenyl)-5-(2-methylpropyl)piperazine is CCC1CNC(CC(C)C)CN1c1ccccc1OC.
What is the InChIKey of 2-ethyl-1-(2-methoxyphenyl)-5-(2-methylpropyl)piperazine?
The InChIKey is ZRXJKLWAHBKLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-15-11-18-14(10-13(2)3)12-19(15)16-8-6-7-9-17(16)20-4/h6-9,13-15,18H,5,10-12H2,1-4H3.
What are the key properties of 2-ethyl-1-(2-methoxyphenyl)-5-(2-methylpropyl)piperazine?
2-ethyl-1-(2-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-(2-methoxyphenyl)-5-(2-methylpropyl)piperazine is sourced from PubChem (CID 64932153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).