4-hexylpiperazine-1-carboxylic acid

C11H22N2O2 — CID 23023143

IUPAC4-hexylpiperazine-1-carboxylic acid
SMILESCCCCCCN1CCN(C(=O)O)CC1
InChIInChI=1S/C11H22N2O2/c1-2-3-4-5-6-12-7-9-13(10-8-12)11(14)15/h2-10H2,1H3,(H,14,15)
InChIKeyZIMHHZAKRYBFQT-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.86
Rot. Bonds5

About 4-hexylpiperazine-1-carboxylic acid

4-hexylpiperazine-1-carboxylic acid (PubChem CID 23023143) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-hexylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-hexylpiperazine-1-carboxylic acid
PubChem CID23023143
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-hexylpiperazine-1-carboxylic acid
SMILESCCCCCCN1CCN(C(=O)O)CC1
InChIInChI=1S/C11H22N2O2/c1-2-3-4-5-6-12-7-9-13(10-8-12)11(14)15/h2-10H2,1H3,(H,14,15)
InChIKeyZIMHHZAKRYBFQT-UHFFFAOYSA-N
XLogP1.86
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-hexylpiperazine-1-carboxylic acid 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 4-hexylpiperazine-1-carboxylic acid?
The IUPAC name of 4-hexylpiperazine-1-carboxylic acid (CID 23023143) is 4-hexylpiperazine-1-carboxylic acid.
What is the SMILES notation for 4-hexylpiperazine-1-carboxylic acid?
The canonical SMILES for 4-hexylpiperazine-1-carboxylic acid is CCCCCCN1CCN(C(=O)O)CC1.
What is the InChIKey of 4-hexylpiperazine-1-carboxylic acid?
The InChIKey is ZIMHHZAKRYBFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-3-4-5-6-12-7-9-13(10-8-12)11(14)15/h2-10H2,1H3,(H,14,15).
What are the key properties of 4-hexylpiperazine-1-carboxylic acid?
4-hexylpiperazine-1-carboxylic acid has a molecular weight of 214.31 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexylpiperazine-1-carboxylic acid is sourced from PubChem (CID 23023143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).