4-[2-[2-(3,4-diethylpiperazin-1-yl)ethoxy]ethyl]-1,2-diethylpiperazine

C20H42N4O — CID 57021475

IUPAC4-[2-[2-(3,4-diethylpiperazin-1-yl)ethoxy]ethyl]-1,2-diethylpiperazine
SMILESCCC1CN(CCOCCN2CCN(CC)C(CC)C2)CCN1CC
InChIInChI=1S/C20H42N4O/c1-5-19-17-21(9-11-23(19)7-3)13-15-25-16-14-22-10-12-24(8-4)20(6-2)18-22/h19-20H,5-18H2,1-4H3
InChIKeyAJJLREXSDKBLMS-UHFFFAOYSA-N
MW354.58 g/mol
LogP1.84
Rot. Bonds10

About 4-[2-[2-(3,4-diethylpiperazin-1-yl)ethoxy]ethyl]-1,2-diethylpiperazine

4-[2-[2-(3,4-diethylpiperazin-1-yl)ethoxy]ethyl]-1,2-diethylpiperazine (PubChem CID 57021475) has the molecular formula C20H42N4O and a molecular weight of 354.58 g/mol. Its IUPAC name is 4-[2-[2-(3,4-diethylpiperazin-1-yl)ethoxy]ethyl]-1,2-diethylpiperazine.

Molecular Properties

Compound Name4-[2-[2-(3,4-diethylpiperazin-1-yl)ethoxy]ethyl]-1,2-diethylpiperazine
PubChem CID57021475
Molecular FormulaC20H42N4O
Molecular Weight354.58 g/mol
Exact Mass354.34
IUPAC Name4-[2-[2-(3,4-diethylpiperazin-1-yl)ethoxy]ethyl]-1,2-diethylpiperazine
SMILESCCC1CN(CCOCCN2CCN(CC)C(CC)C2)CCN1CC
InChIInChI=1S/C20H42N4O/c1-5-19-17-21(9-11-23(19)7-3)13-15-25-16-14-22-10-12-24(8-4)20(6-2)18-22/h19-20H,5-18H2,1-4H3
InChIKeyAJJLREXSDKBLMS-UHFFFAOYSA-N
XLogP1.84
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.58
LogP ≤ 51.84
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 4-[2-[2-(3,4-diethylpiperazin-1-yl)ethoxy]ethyl]-1,2-diethylpiperazine?
The IUPAC name of 4-[2-[2-(3,4-diethylpiperazin-1-yl)ethoxy]ethyl]-1,2-diethylpiperazine (CID 57021475) is 4-[2-[2-(3,4-diethylpiperazin-1-yl)ethoxy]ethyl]-1,2-diethylpiperazine.
What is the SMILES notation for 4-[2-[2-(3,4-diethylpiperazin-1-yl)ethoxy]ethyl]-1,2-diethylpiperazine?
The canonical SMILES for 4-[2-[2-(3,4-diethylpiperazin-1-yl)ethoxy]ethyl]-1,2-diethylpiperazine is CCC1CN(CCOCCN2CCN(CC)C(CC)C2)CCN1CC.
What is the InChIKey of 4-[2-[2-(3,4-diethylpiperazin-1-yl)ethoxy]ethyl]-1,2-diethylpiperazine?
The InChIKey is AJJLREXSDKBLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N4O/c1-5-19-17-21(9-11-23(19)7-3)13-15-25-16-14-22-10-12-24(8-4)20(6-2)18-22/h19-20H,5-18H2,1-4H3.
What are the key properties of 4-[2-[2-(3,4-diethylpiperazin-1-yl)ethoxy]ethyl]-1,2-diethylpiperazine?
4-[2-[2-(3,4-diethylpiperazin-1-yl)ethoxy]ethyl]-1,2-diethylpiperazine has a molecular weight of 354.58 g/mol, XLogP of 1.84, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(3,4-diethylpiperazin-1-yl)ethoxy]ethyl]-1,2-diethylpiperazine is sourced from PubChem (CID 57021475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).