1-ethyl-4-[4-(4-ethyl-2,5-dimethylpiperazin-1-yl)but-2-enyl]-2,5-dimethylpiperazine

C20H40N4 — CID 126817447

IUPAC1-ethyl-4-[4-(4-ethyl-2,5-dimethylpiperazin-1-yl)but-2-enyl]-2,5-dimethylpiperazine
SMILESCCN1CC(C)N(CC=CCN2CC(C)N(CC)CC2C)CC1C
InChIInChI=1S/C20H40N4/c1-7-21-13-19(5)23(15-17(21)3)11-9-10-12-24-16-18(4)22(8-2)14-20(24)6/h9-10,17-20H,7-8,11-16H2,1-6H3
InChIKeyJDRCZTUHLZBKII-UHFFFAOYSA-N
MW336.57 g/mol
LogP2.37
Rot. Bonds6

About 1-ethyl-4-[4-(4-ethyl-2,5-dimethylpiperazin-1-yl)but-2-enyl]-2,5-dimethylpiperazine

1-ethyl-4-[4-(4-ethyl-2,5-dimethylpiperazin-1-yl)but-2-enyl]-2,5-dimethylpiperazine (PubChem CID 126817447) has the molecular formula C20H40N4 and a molecular weight of 336.57 g/mol. Its IUPAC name is 1-ethyl-4-[4-(4-ethyl-2,5-dimethylpiperazin-1-yl)but-2-enyl]-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-ethyl-4-[4-(4-ethyl-2,5-dimethylpiperazin-1-yl)but-2-enyl]-2,5-dimethylpiperazine
PubChem CID126817447
Molecular FormulaC20H40N4
Molecular Weight336.57 g/mol
Exact Mass336.33
IUPAC Name1-ethyl-4-[4-(4-ethyl-2,5-dimethylpiperazin-1-yl)but-2-enyl]-2,5-dimethylpiperazine
SMILESCCN1CC(C)N(CC=CCN2CC(C)N(CC)CC2C)CC1C
InChIInChI=1S/C20H40N4/c1-7-21-13-19(5)23(15-17(21)3)11-9-10-12-24-16-18(4)22(8-2)14-20(24)6/h9-10,17-20H,7-8,11-16H2,1-6H3
InChIKeyJDRCZTUHLZBKII-UHFFFAOYSA-N
XLogP2.37
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.57
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[4-(4-ethyl-2,5-dimethylpiperazin-1-yl)but-2-enyl]-2,5-dimethylpiperazine?
The IUPAC name of 1-ethyl-4-[4-(4-ethyl-2,5-dimethylpiperazin-1-yl)but-2-enyl]-2,5-dimethylpiperazine (CID 126817447) is 1-ethyl-4-[4-(4-ethyl-2,5-dimethylpiperazin-1-yl)but-2-enyl]-2,5-dimethylpiperazine.
What is the SMILES notation for 1-ethyl-4-[4-(4-ethyl-2,5-dimethylpiperazin-1-yl)but-2-enyl]-2,5-dimethylpiperazine?
The canonical SMILES for 1-ethyl-4-[4-(4-ethyl-2,5-dimethylpiperazin-1-yl)but-2-enyl]-2,5-dimethylpiperazine is CCN1CC(C)N(CC=CCN2CC(C)N(CC)CC2C)CC1C.
What is the InChIKey of 1-ethyl-4-[4-(4-ethyl-2,5-dimethylpiperazin-1-yl)but-2-enyl]-2,5-dimethylpiperazine?
The InChIKey is JDRCZTUHLZBKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N4/c1-7-21-13-19(5)23(15-17(21)3)11-9-10-12-24-16-18(4)22(8-2)14-20(24)6/h9-10,17-20H,7-8,11-16H2,1-6H3.
What are the key properties of 1-ethyl-4-[4-(4-ethyl-2,5-dimethylpiperazin-1-yl)but-2-enyl]-2,5-dimethylpiperazine?
1-ethyl-4-[4-(4-ethyl-2,5-dimethylpiperazin-1-yl)but-2-enyl]-2,5-dimethylpiperazine has a molecular weight of 336.57 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[4-(4-ethyl-2,5-dimethylpiperazin-1-yl)but-2-enyl]-2,5-dimethylpiperazine is sourced from PubChem (CID 126817447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).