2,2-dimethyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid

C14H28N2O2 — CID 65254593

IUPAC2,2-dimethyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid
SMILESCN1CCN(CCCC(C)(C)C(=O)O)CC1(C)C
InChIInChI=1S/C14H28N2O2/c1-13(2,12(17)18)7-6-8-16-10-9-15(5)14(3,4)11-16/h6-11H2,1-5H3,(H,17,18)
InChIKeyNANUWTYHARAJTC-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.90
Rot. Bonds5

About 2,2-dimethyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid

2,2-dimethyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid (PubChem CID 65254593) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2,2-dimethyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid
PubChem CID65254593
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2,2-dimethyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid
SMILESCN1CCN(CCCC(C)(C)C(=O)O)CC1(C)C
InChIInChI=1S/C14H28N2O2/c1-13(2,12(17)18)7-6-8-16-10-9-15(5)14(3,4)11-16/h6-11H2,1-5H3,(H,17,18)
InChIKeyNANUWTYHARAJTC-UHFFFAOYSA-N
XLogP1.90
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-5-(3,3,4-trimethylpiperazin-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-dimethyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid?
The IUPAC name of 2,2-dimethyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid (CID 65254593) is 2,2-dimethyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid.
What is the SMILES notation for 2,2-dimethyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid?
The canonical SMILES for 2,2-dimethyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid is CN1CCN(CCCC(C)(C)C(=O)O)CC1(C)C.
What is the InChIKey of 2,2-dimethyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid?
The InChIKey is NANUWTYHARAJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-13(2,12(17)18)7-6-8-16-10-9-15(5)14(3,4)11-16/h6-11H2,1-5H3,(H,17,18).
What are the key properties of 2,2-dimethyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid?
2,2-dimethyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid has a molecular weight of 256.39 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid is sourced from PubChem (CID 65254593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).