1-ethyl-4-[2-(4-methylpentoxy)ethyl]piperazine

C14H30N2O — CID 142616300

IUPAC1-ethyl-4-[2-(4-methylpentoxy)ethyl]piperazine
SMILESCCN1CCN(CCOCCCC(C)C)CC1
InChIInChI=1S/C14H30N2O/c1-4-15-7-9-16(10-8-15)11-13-17-12-5-6-14(2)3/h14H,4-13H2,1-3H3
InChIKeyWUEUYLKJTWPZCG-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.08
Rot. Bonds8

About 1-ethyl-4-[2-(4-methylpentoxy)ethyl]piperazine

1-ethyl-4-[2-(4-methylpentoxy)ethyl]piperazine (PubChem CID 142616300) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-ethyl-4-[2-(4-methylpentoxy)ethyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[2-(4-methylpentoxy)ethyl]piperazine
PubChem CID142616300
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-ethyl-4-[2-(4-methylpentoxy)ethyl]piperazine
SMILESCCN1CCN(CCOCCCC(C)C)CC1
InChIInChI=1S/C14H30N2O/c1-4-15-7-9-16(10-8-15)11-13-17-12-5-6-14(2)3/h14H,4-13H2,1-3H3
InChIKeyWUEUYLKJTWPZCG-UHFFFAOYSA-N
XLogP2.08
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-ethyl-4-[2-(4-methylpentoxy)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 1-ethyl-4-[2-(4-methylpentoxy)ethyl]piperazine?
The IUPAC name of 1-ethyl-4-[2-(4-methylpentoxy)ethyl]piperazine (CID 142616300) is 1-ethyl-4-[2-(4-methylpentoxy)ethyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[2-(4-methylpentoxy)ethyl]piperazine?
The canonical SMILES for 1-ethyl-4-[2-(4-methylpentoxy)ethyl]piperazine is CCN1CCN(CCOCCCC(C)C)CC1.
What is the InChIKey of 1-ethyl-4-[2-(4-methylpentoxy)ethyl]piperazine?
The InChIKey is WUEUYLKJTWPZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-4-15-7-9-16(10-8-15)11-13-17-12-5-6-14(2)3/h14H,4-13H2,1-3H3.
What are the key properties of 1-ethyl-4-[2-(4-methylpentoxy)ethyl]piperazine?
1-ethyl-4-[2-(4-methylpentoxy)ethyl]piperazine has a molecular weight of 242.41 g/mol, XLogP of 2.08, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-(4-methylpentoxy)ethyl]piperazine is sourced from PubChem (CID 142616300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).