1-(2-ethoxyethyl)-5-methyl-2-(2-methylpropyl)piperazine

C13H28N2O — CID 64845397

IUPAC1-(2-ethoxyethyl)-5-methyl-2-(2-methylpropyl)piperazine
SMILESCCOCCN1CC(C)NCC1CC(C)C
InChIInChI=1S/C13H28N2O/c1-5-16-7-6-15-10-12(4)14-9-13(15)8-11(2)3/h11-14H,5-10H2,1-4H3
InChIKeyLMQCZXVFASPMLX-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds6

About 1-(2-ethoxyethyl)-5-methyl-2-(2-methylpropyl)piperazine

1-(2-ethoxyethyl)-5-methyl-2-(2-methylpropyl)piperazine (PubChem CID 64845397) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-5-methyl-2-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-5-methyl-2-(2-methylpropyl)piperazine
PubChem CID64845397
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-(2-ethoxyethyl)-5-methyl-2-(2-methylpropyl)piperazine
SMILESCCOCCN1CC(C)NCC1CC(C)C
InChIInChI=1S/C13H28N2O/c1-5-16-7-6-15-10-12(4)14-9-13(15)8-11(2)3/h11-14H,5-10H2,1-4H3
InChIKeyLMQCZXVFASPMLX-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(2-ethoxyethyl)-5-methyl-2-(2-methylpropyl)piperazine with MolForge

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

Launch Full Analysis

Related Compounds

1-(2-ethylsulfonylethyl)-5-methyl-2-(2-methylpropyl)piperazine
CID 106732837
5-methyl-2-(2-methylpropyl)-1-(2-piperidin-1-ylethyl)piperazine
CID 82247109
5-methyl-1-(2-propoxyethyl)-2-propylpiperazine
CID 106458506
1-[2-(3-methylbutoxy)ethyl]-2-(2-methylpropyl)-5-propylpiperazine
CID 64839963
5-methyl-2-(2-methylpropyl)-1-(2-pyrazol-1-ylethyl)piperazine
CID 64845781
1-(2-butoxyethyl)-2-(2-methylpropyl)-5-propan-2-ylpiperazine
CID 64838649
5-methyl-1-(2-propan-2-yloxyethyl)-2-propylpiperazine
CID 64846067
1-[2-(2-methoxyethoxy)ethyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine
CID 64840397
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-methyl-2-propylpiperazine
CID 104567840
5-methyl-2-(2-methylpropyl)-1-(3-phenylpropyl)piperazine
CID 64845965
1-(3-chloro-2-methylprop-2-enyl)-5-methyl-2-(2-methylpropyl)piperazine
CID 106440350
1-(2-ethoxyethyl)-2,5-dipropylpiperazine
CID 64844595

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-5-methyl-2-(2-methylpropyl)piperazine?
The IUPAC name of 1-(2-ethoxyethyl)-5-methyl-2-(2-methylpropyl)piperazine (CID 64845397) is 1-(2-ethoxyethyl)-5-methyl-2-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(2-ethoxyethyl)-5-methyl-2-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(2-ethoxyethyl)-5-methyl-2-(2-methylpropyl)piperazine is CCOCCN1CC(C)NCC1CC(C)C.
What is the InChIKey of 1-(2-ethoxyethyl)-5-methyl-2-(2-methylpropyl)piperazine?
The InChIKey is LMQCZXVFASPMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-16-7-6-15-10-12(4)14-9-13(15)8-11(2)3/h11-14H,5-10H2,1-4H3.
What are the key properties of 1-(2-ethoxyethyl)-5-methyl-2-(2-methylpropyl)piperazine?
1-(2-ethoxyethyl)-5-methyl-2-(2-methylpropyl)piperazine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-5-methyl-2-(2-methylpropyl)piperazine is sourced from PubChem (CID 64845397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).