6-(4-ethylpiperazin-1-yl)hexan-2-one

C12H24N2O — CID 43792758

IUPAC6-(4-ethylpiperazin-1-yl)hexan-2-one
SMILESCCN1CCN(CCCCC(C)=O)CC1
InChIInChI=1S/C12H24N2O/c1-3-13-8-10-14(11-9-13)7-5-4-6-12(2)15/h3-11H2,1-2H3
InChIKeyKDHVBVOZIRGYEC-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.38
Rot. Bonds6

About 6-(4-ethylpiperazin-1-yl)hexan-2-one

6-(4-ethylpiperazin-1-yl)hexan-2-one (PubChem CID 43792758) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 6-(4-ethylpiperazin-1-yl)hexan-2-one.

Molecular Properties

Compound Name6-(4-ethylpiperazin-1-yl)hexan-2-one
PubChem CID43792758
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name6-(4-ethylpiperazin-1-yl)hexan-2-one
SMILESCCN1CCN(CCCCC(C)=O)CC1
InChIInChI=1S/C12H24N2O/c1-3-13-8-10-14(11-9-13)7-5-4-6-12(2)15/h3-11H2,1-2H3
InChIKeyKDHVBVOZIRGYEC-UHFFFAOYSA-N
XLogP1.38
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(4-ethylpiperazin-1-yl)hexan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-ethylpiperazin-1-yl)butan-2-one
CID 20802873
ethyl 4-(5-oxohexyl)piperazine-1-carboxylate
CID 107877302
6-(4-acetyl-1,4-diazepan-1-yl)hexan-2-one
CID 55003112
8-[4-(3-methoxypropyl)piperazin-1-yl]octan-2-one
CID 171083706
7-(4-propan-2-ylpiperidin-1-yl)heptan-2-one
CID 155402306
N-[4-(4-ethylpiperazin-1-yl)butyl]acetamide
CID 110441162
1-ethyl-4-(4-piperidin-1-ylbutyl)piperazine
CID 142139915
1-ethyl-4-undecylpiperazine
CID 21399231
1-ethyl-4-heptylpiperazine
CID 21399221
6-(3,4-dimethylpiperazin-1-yl)hexan-2-one
CID 63610626
8-(1,4-diazepan-1-yl)octan-2-one
CID 18958812
1-(4-ethylpiperazin-1-yl)tetradecan-1-one
CID 10358918

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylpiperazin-1-yl)hexan-2-one?
The IUPAC name of 6-(4-ethylpiperazin-1-yl)hexan-2-one (CID 43792758) is 6-(4-ethylpiperazin-1-yl)hexan-2-one.
What is the SMILES notation for 6-(4-ethylpiperazin-1-yl)hexan-2-one?
The canonical SMILES for 6-(4-ethylpiperazin-1-yl)hexan-2-one is CCN1CCN(CCCCC(C)=O)CC1.
What is the InChIKey of 6-(4-ethylpiperazin-1-yl)hexan-2-one?
The InChIKey is KDHVBVOZIRGYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-13-8-10-14(11-9-13)7-5-4-6-12(2)15/h3-11H2,1-2H3.
What are the key properties of 6-(4-ethylpiperazin-1-yl)hexan-2-one?
6-(4-ethylpiperazin-1-yl)hexan-2-one has a molecular weight of 212.34 g/mol, XLogP of 1.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylpiperazin-1-yl)hexan-2-one is sourced from PubChem (CID 43792758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).