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

C21H44N2O3 — CID 138501050

IUPAC1-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]-4-(4-methylpentyl)piperazine
SMILESCC(C)CCCN1CCN(CCOCCOCCOCCC(C)C)CC1
InChIInChI=1S/C21H44N2O3/c1-20(2)6-5-8-22-9-11-23(12-10-22)13-15-25-17-19-26-18-16-24-14-7-21(3)4/h20-21H,5-19H2,1-4H3
InChIKeyQIVJSXBDAXGZMK-UHFFFAOYSA-N
MW372.59 g/mol
LogP3.14
Rot. Bonds16

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

1-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]-4-(4-methylpentyl)piperazine (PubChem CID 138501050) has the molecular formula C21H44N2O3 and a molecular weight of 372.59 g/mol. Its IUPAC name is 1-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]-4-(4-methylpentyl)piperazine.

Molecular Properties

Compound Name1-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]-4-(4-methylpentyl)piperazine
PubChem CID138501050
Molecular FormulaC21H44N2O3
Molecular Weight372.59 g/mol
Exact Mass372.34
IUPAC Name1-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]-4-(4-methylpentyl)piperazine
SMILESCC(C)CCCN1CCN(CCOCCOCCOCCC(C)C)CC1
InChIInChI=1S/C21H44N2O3/c1-20(2)6-5-8-22-9-11-23(12-10-22)13-15-25-17-19-26-18-16-24-14-7-21(3)4/h20-21H,5-19H2,1-4H3
InChIKeyQIVJSXBDAXGZMK-UHFFFAOYSA-N
XLogP3.14
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.59
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]-4-(4-methylpentyl)piperazine?
The IUPAC name of 1-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]-4-(4-methylpentyl)piperazine (CID 138501050) is 1-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]-4-(4-methylpentyl)piperazine.
What is the SMILES notation for 1-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]-4-(4-methylpentyl)piperazine?
The canonical SMILES for 1-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]-4-(4-methylpentyl)piperazine is CC(C)CCCN1CCN(CCOCCOCCOCCC(C)C)CC1.
What is the InChIKey of 1-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]-4-(4-methylpentyl)piperazine?
The InChIKey is QIVJSXBDAXGZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44N2O3/c1-20(2)6-5-8-22-9-11-23(12-10-22)13-15-25-17-19-26-18-16-24-14-7-21(3)4/h20-21H,5-19H2,1-4H3.
What are the key properties of 1-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]-4-(4-methylpentyl)piperazine?
1-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]-4-(4-methylpentyl)piperazine has a molecular weight of 372.59 g/mol, XLogP of 3.14, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]-4-(4-methylpentyl)piperazine is sourced from PubChem (CID 138501050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).