1-[2-(3-methylbutoxy)ethyl]-4-[2-(2-methylpropoxy)ethyl]piperazine

C17H36N2O2 — CID 162698189

IUPAC1-[2-(3-methylbutoxy)ethyl]-4-[2-(2-methylpropoxy)ethyl]piperazine
SMILESCC(C)CCOCCN1CCN(CCOCC(C)C)CC1
InChIInChI=1S/C17H36N2O2/c1-16(2)5-12-20-13-10-18-6-8-19(9-7-18)11-14-21-15-17(3)4/h16-17H,5-15H2,1-4H3
InChIKeySDFIHTWISQFWIN-UHFFFAOYSA-N
MW300.49 g/mol
LogP2.34
Rot. Bonds11

About 1-[2-(3-methylbutoxy)ethyl]-4-[2-(2-methylpropoxy)ethyl]piperazine

1-[2-(3-methylbutoxy)ethyl]-4-[2-(2-methylpropoxy)ethyl]piperazine (PubChem CID 162698189) has the molecular formula C17H36N2O2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 1-[2-(3-methylbutoxy)ethyl]-4-[2-(2-methylpropoxy)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(3-methylbutoxy)ethyl]-4-[2-(2-methylpropoxy)ethyl]piperazine
PubChem CID162698189
Molecular FormulaC17H36N2O2
Molecular Weight300.49 g/mol
Exact Mass300.28
IUPAC Name1-[2-(3-methylbutoxy)ethyl]-4-[2-(2-methylpropoxy)ethyl]piperazine
SMILESCC(C)CCOCCN1CCN(CCOCC(C)C)CC1
InChIInChI=1S/C17H36N2O2/c1-16(2)5-12-20-13-10-18-6-8-19(9-7-18)11-14-21-15-17(3)4/h16-17H,5-15H2,1-4H3
InChIKeySDFIHTWISQFWIN-UHFFFAOYSA-N
XLogP2.34
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-(3-methylbutoxy)ethyl]-4-[2-(2-methylpropoxy)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-[2-(3-methylbutoxy)ethyl]-4-[2-(2-methylpropoxy)ethyl]piperazine?
The IUPAC name of 1-[2-(3-methylbutoxy)ethyl]-4-[2-(2-methylpropoxy)ethyl]piperazine (CID 162698189) is 1-[2-(3-methylbutoxy)ethyl]-4-[2-(2-methylpropoxy)ethyl]piperazine.
What is the SMILES notation for 1-[2-(3-methylbutoxy)ethyl]-4-[2-(2-methylpropoxy)ethyl]piperazine?
The canonical SMILES for 1-[2-(3-methylbutoxy)ethyl]-4-[2-(2-methylpropoxy)ethyl]piperazine is CC(C)CCOCCN1CCN(CCOCC(C)C)CC1.
What is the InChIKey of 1-[2-(3-methylbutoxy)ethyl]-4-[2-(2-methylpropoxy)ethyl]piperazine?
The InChIKey is SDFIHTWISQFWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O2/c1-16(2)5-12-20-13-10-18-6-8-19(9-7-18)11-14-21-15-17(3)4/h16-17H,5-15H2,1-4H3.
What are the key properties of 1-[2-(3-methylbutoxy)ethyl]-4-[2-(2-methylpropoxy)ethyl]piperazine?
1-[2-(3-methylbutoxy)ethyl]-4-[2-(2-methylpropoxy)ethyl]piperazine has a molecular weight of 300.49 g/mol, XLogP of 2.34, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylbutoxy)ethyl]-4-[2-(2-methylpropoxy)ethyl]piperazine is sourced from PubChem (CID 162698189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).