2-(2,5-dimethylpiperazin-1-yl)pentanoic acid

C11H22N2O2 — CID 83048854

IUPAC2-(2,5-dimethylpiperazin-1-yl)pentanoic acid
SMILESCCCC(C(=O)O)N1CC(C)NCC1C
InChIInChI=1S/C11H22N2O2/c1-4-5-10(11(14)15)13-7-8(2)12-6-9(13)3/h8-10,12H,4-7H2,1-3H3,(H,14,15)
InChIKeyIFSGEJPMPIKDEW-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.92
Rot. Bonds4

About 2-(2,5-dimethylpiperazin-1-yl)pentanoic acid

2-(2,5-dimethylpiperazin-1-yl)pentanoic acid (PubChem CID 83048854) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(2,5-dimethylpiperazin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-(2,5-dimethylpiperazin-1-yl)pentanoic acid
PubChem CID83048854
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-(2,5-dimethylpiperazin-1-yl)pentanoic acid
SMILESCCCC(C(=O)O)N1CC(C)NCC1C
InChIInChI=1S/C11H22N2O2/c1-4-5-10(11(14)15)13-7-8(2)12-6-9(13)3/h8-10,12H,4-7H2,1-3H3,(H,14,15)
InChIKeyIFSGEJPMPIKDEW-UHFFFAOYSA-N
XLogP0.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2,5-dimethylpiperazin-1-yl)pentanoic 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 2-(2,5-dimethylpiperazin-1-yl)pentanoic acid?
The IUPAC name of 2-(2,5-dimethylpiperazin-1-yl)pentanoic acid (CID 83048854) is 2-(2,5-dimethylpiperazin-1-yl)pentanoic acid.
What is the SMILES notation for 2-(2,5-dimethylpiperazin-1-yl)pentanoic acid?
The canonical SMILES for 2-(2,5-dimethylpiperazin-1-yl)pentanoic acid is CCCC(C(=O)O)N1CC(C)NCC1C.
What is the InChIKey of 2-(2,5-dimethylpiperazin-1-yl)pentanoic acid?
The InChIKey is IFSGEJPMPIKDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-5-10(11(14)15)13-7-8(2)12-6-9(13)3/h8-10,12H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 2-(2,5-dimethylpiperazin-1-yl)pentanoic acid?
2-(2,5-dimethylpiperazin-1-yl)pentanoic acid has a molecular weight of 214.31 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpiperazin-1-yl)pentanoic acid is sourced from PubChem (CID 83048854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).