4-[2-[2-[2-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]butan-2-one

C19H38N2O4 — CID 70660595

IUPAC4-[2-[2-[2-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]butan-2-one
SMILESCC(=O)CCOCCOCCOCCN1CCN(CC(C)(C)C)CC1
InChIInChI=1S/C19H38N2O4/c1-18(22)5-11-23-13-15-25-16-14-24-12-10-20-6-8-21(9-7-20)17-19(2,3)4/h5-17H2,1-4H3
InChIKeyZSOUNNNGZNZRBR-UHFFFAOYSA-N
MW358.52 g/mol
LogP1.68
Rot. Bonds13

About 4-[2-[2-[2-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]butan-2-one

4-[2-[2-[2-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]butan-2-one (PubChem CID 70660595) has the molecular formula C19H38N2O4 and a molecular weight of 358.52 g/mol. Its IUPAC name is 4-[2-[2-[2-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]butan-2-one.

Molecular Properties

Compound Name4-[2-[2-[2-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]butan-2-one
PubChem CID70660595
Molecular FormulaC19H38N2O4
Molecular Weight358.52 g/mol
Exact Mass358.28
IUPAC Name4-[2-[2-[2-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]butan-2-one
SMILESCC(=O)CCOCCOCCOCCN1CCN(CC(C)(C)C)CC1
InChIInChI=1S/C19H38N2O4/c1-18(22)5-11-23-13-15-25-16-14-24-12-10-20-6-8-21(9-7-20)17-19(2,3)4/h5-17H2,1-4H3
InChIKeyZSOUNNNGZNZRBR-UHFFFAOYSA-N
XLogP1.68
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.52
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[2-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]butan-2-one?
The IUPAC name of 4-[2-[2-[2-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]butan-2-one (CID 70660595) is 4-[2-[2-[2-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]butan-2-one.
What is the SMILES notation for 4-[2-[2-[2-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]butan-2-one?
The canonical SMILES for 4-[2-[2-[2-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]butan-2-one is CC(=O)CCOCCOCCOCCN1CCN(CC(C)(C)C)CC1.
What is the InChIKey of 4-[2-[2-[2-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]butan-2-one?
The InChIKey is ZSOUNNNGZNZRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O4/c1-18(22)5-11-23-13-15-25-16-14-24-12-10-20-6-8-21(9-7-20)17-19(2,3)4/h5-17H2,1-4H3.
What are the key properties of 4-[2-[2-[2-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]butan-2-one?
4-[2-[2-[2-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]butan-2-one has a molecular weight of 358.52 g/mol, XLogP of 1.68, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[2-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]butan-2-one is sourced from PubChem (CID 70660595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).