2,5-diethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine

C17H28N2O — CID 64977794

IUPAC2,5-diethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine
SMILESCCC1CN(C(C)c2ccc(OC)cc2)C(CC)CN1
InChIInChI=1S/C17H28N2O/c1-5-15-12-19(16(6-2)11-18-15)13(3)14-7-9-17(20-4)10-8-14/h7-10,13,15-16,18H,5-6,11-12H2,1-4H3
InChIKeyMNZIAWXYTXOFRV-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.22
Rot. Bonds5

About 2,5-diethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine

2,5-diethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine (PubChem CID 64977794) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2,5-diethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine.

Molecular Properties

Compound Name2,5-diethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine
PubChem CID64977794
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2,5-diethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine
SMILESCCC1CN(C(C)c2ccc(OC)cc2)C(CC)CN1
InChIInChI=1S/C17H28N2O/c1-5-15-12-19(16(6-2)11-18-15)13(3)14-7-9-17(20-4)10-8-14/h7-10,13,15-16,18H,5-6,11-12H2,1-4H3
InChIKeyMNZIAWXYTXOFRV-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,5-diethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine?
The IUPAC name of 2,5-diethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine (CID 64977794) is 2,5-diethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine.
What is the SMILES notation for 2,5-diethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine?
The canonical SMILES for 2,5-diethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine is CCC1CN(C(C)c2ccc(OC)cc2)C(CC)CN1.
What is the InChIKey of 2,5-diethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine?
The InChIKey is MNZIAWXYTXOFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-15-12-19(16(6-2)11-18-15)13(3)14-7-9-17(20-4)10-8-14/h7-10,13,15-16,18H,5-6,11-12H2,1-4H3.
What are the key properties of 2,5-diethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine?
2,5-diethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine has a molecular weight of 276.42 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine is sourced from PubChem (CID 64977794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).