4-tert-butyl-1-[2-[2-(4-tert-butylpiperazin-1-yl)-3-(2-methoxyethoxy)propoxy]ethyl]-2,2-dimethylpiperazine

C26H54N4O3 — CID 146529065

IUPAC4-tert-butyl-1-[2-[2-(4-tert-butylpiperazin-1-yl)-3-(2-methoxyethoxy)propoxy]ethyl]-2,2-dimethylpiperazine
SMILESCOCCOCC(COCCN1CCN(C(C)(C)C)CC1(C)C)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C26H54N4O3/c1-24(2,3)28-12-10-27(11-13-28)23(21-33-19-18-31-9)20-32-17-16-29-14-15-30(25(4,5)6)22-26(29,7)8/h23H,10-22H2,1-9H3
InChIKeyIQCIFEINZGPMEK-UHFFFAOYSA-N
MW470.74 g/mol
LogP2.65
Rot. Bonds11

About 4-tert-butyl-1-[2-[2-(4-tert-butylpiperazin-1-yl)-3-(2-methoxyethoxy)propoxy]ethyl]-2,2-dimethylpiperazine

4-tert-butyl-1-[2-[2-(4-tert-butylpiperazin-1-yl)-3-(2-methoxyethoxy)propoxy]ethyl]-2,2-dimethylpiperazine (PubChem CID 146529065) has the molecular formula C26H54N4O3 and a molecular weight of 470.74 g/mol. Its IUPAC name is 4-tert-butyl-1-[2-[2-(4-tert-butylpiperazin-1-yl)-3-(2-methoxyethoxy)propoxy]ethyl]-2,2-dimethylpiperazine.

Molecular Properties

Compound Name4-tert-butyl-1-[2-[2-(4-tert-butylpiperazin-1-yl)-3-(2-methoxyethoxy)propoxy]ethyl]-2,2-dimethylpiperazine
PubChem CID146529065
Molecular FormulaC26H54N4O3
Molecular Weight470.74 g/mol
Exact Mass470.42
IUPAC Name4-tert-butyl-1-[2-[2-(4-tert-butylpiperazin-1-yl)-3-(2-methoxyethoxy)propoxy]ethyl]-2,2-dimethylpiperazine
SMILESCOCCOCC(COCCN1CCN(C(C)(C)C)CC1(C)C)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C26H54N4O3/c1-24(2,3)28-12-10-27(11-13-28)23(21-33-19-18-31-9)20-32-17-16-29-14-15-30(25(4,5)6)22-26(29,7)8/h23H,10-22H2,1-9H3
InChIKeyIQCIFEINZGPMEK-UHFFFAOYSA-N
XLogP2.65
TPSA40.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.74
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 4-tert-butyl-1-[2-[2-(4-tert-butylpiperazin-1-yl)-3-(2-methoxyethoxy)propoxy]ethyl]-2,2-dimethylpiperazine?
The IUPAC name of 4-tert-butyl-1-[2-[2-(4-tert-butylpiperazin-1-yl)-3-(2-methoxyethoxy)propoxy]ethyl]-2,2-dimethylpiperazine (CID 146529065) is 4-tert-butyl-1-[2-[2-(4-tert-butylpiperazin-1-yl)-3-(2-methoxyethoxy)propoxy]ethyl]-2,2-dimethylpiperazine.
What is the SMILES notation for 4-tert-butyl-1-[2-[2-(4-tert-butylpiperazin-1-yl)-3-(2-methoxyethoxy)propoxy]ethyl]-2,2-dimethylpiperazine?
The canonical SMILES for 4-tert-butyl-1-[2-[2-(4-tert-butylpiperazin-1-yl)-3-(2-methoxyethoxy)propoxy]ethyl]-2,2-dimethylpiperazine is COCCOCC(COCCN1CCN(C(C)(C)C)CC1(C)C)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1-[2-[2-(4-tert-butylpiperazin-1-yl)-3-(2-methoxyethoxy)propoxy]ethyl]-2,2-dimethylpiperazine?
The InChIKey is IQCIFEINZGPMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54N4O3/c1-24(2,3)28-12-10-27(11-13-28)23(21-33-19-18-31-9)20-32-17-16-29-14-15-30(25(4,5)6)22-26(29,7)8/h23H,10-22H2,1-9H3.
What are the key properties of 4-tert-butyl-1-[2-[2-(4-tert-butylpiperazin-1-yl)-3-(2-methoxyethoxy)propoxy]ethyl]-2,2-dimethylpiperazine?
4-tert-butyl-1-[2-[2-(4-tert-butylpiperazin-1-yl)-3-(2-methoxyethoxy)propoxy]ethyl]-2,2-dimethylpiperazine has a molecular weight of 470.74 g/mol, XLogP of 2.65, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[2-[2-(4-tert-butylpiperazin-1-yl)-3-(2-methoxyethoxy)propoxy]ethyl]-2,2-dimethylpiperazine is sourced from PubChem (CID 146529065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).