1-ethyl-4-[2-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]propan-2-yl]piperazine

C24H50N6 — CID 155055089

IUPAC1-ethyl-4-[2-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]propan-2-yl]piperazine
SMILESCCN1CCN(C(C)(C)CN2CCN(C(C)(C)N3CCN(C(C)C)CC3)CC2)CC1
InChIInChI=1S/C24H50N6/c1-8-25-9-15-28(16-10-25)23(4,5)21-26-11-17-29(18-12-26)24(6,7)30-19-13-27(14-20-30)22(2)3/h22H,8-21H2,1-7H3
InChIKeyAMBFJZLQGHFADK-UHFFFAOYSA-N
MW422.71 g/mol
LogP1.78
Rot. Bonds7

About 1-ethyl-4-[2-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]propan-2-yl]piperazine

1-ethyl-4-[2-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]propan-2-yl]piperazine (PubChem CID 155055089) has the molecular formula C24H50N6 and a molecular weight of 422.71 g/mol. Its IUPAC name is 1-ethyl-4-[2-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]propan-2-yl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[2-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]propan-2-yl]piperazine
PubChem CID155055089
Molecular FormulaC24H50N6
Molecular Weight422.71 g/mol
Exact Mass422.41
IUPAC Name1-ethyl-4-[2-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]propan-2-yl]piperazine
SMILESCCN1CCN(C(C)(C)CN2CCN(C(C)(C)N3CCN(C(C)C)CC3)CC2)CC1
InChIInChI=1S/C24H50N6/c1-8-25-9-15-28(16-10-25)23(4,5)21-26-11-17-29(18-12-26)24(6,7)30-19-13-27(14-20-30)22(2)3/h22H,8-21H2,1-7H3
InChIKeyAMBFJZLQGHFADK-UHFFFAOYSA-N
XLogP1.78
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.71
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-4-[2-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]propan-2-yl]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-ethyl-4-[2-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]propan-2-yl]piperazine?
The IUPAC name of 1-ethyl-4-[2-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]propan-2-yl]piperazine (CID 155055089) is 1-ethyl-4-[2-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]propan-2-yl]piperazine.
What is the SMILES notation for 1-ethyl-4-[2-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]propan-2-yl]piperazine?
The canonical SMILES for 1-ethyl-4-[2-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]propan-2-yl]piperazine is CCN1CCN(C(C)(C)CN2CCN(C(C)(C)N3CCN(C(C)C)CC3)CC2)CC1.
What is the InChIKey of 1-ethyl-4-[2-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]propan-2-yl]piperazine?
The InChIKey is AMBFJZLQGHFADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50N6/c1-8-25-9-15-28(16-10-25)23(4,5)21-26-11-17-29(18-12-26)24(6,7)30-19-13-27(14-20-30)22(2)3/h22H,8-21H2,1-7H3.
What are the key properties of 1-ethyl-4-[2-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]propan-2-yl]piperazine?
1-ethyl-4-[2-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]propan-2-yl]piperazine has a molecular weight of 422.71 g/mol, XLogP of 1.78, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]propan-2-yl]piperazine is sourced from PubChem (CID 155055089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).