4-(4-Methyl-1-piperazinyl)butanoic Acid - ≥95% , CAS No.58077-68-2

CAS: 58077-68-2 Cat. No.: B690832 Molecular Weight: 186.25 PubChem CID: 14855690

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CN1CCN(CC1)CCCC(=O)O
• IUPAC Name: 4-(4-methylpiperazin-1-yl)butanoic acid
• InChIKey: ATSKLAVSYMLSEX-UHFFFAOYSA-N
• INCHI: 1S/C9H18N2O2/c1-10-5-7-11(8-6-10)4-2-3-9(12)13/h2-8H2,1H3,(H,12,13)
• Isomeric SMILES: CN1CCN(CC1)CCCC(=O)O
• PubChem CID: 14855690
• Molecular Weight: 186.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Heterocyclic fatty acids
• Alternative Parents: N-methylpiperazines Amino fatty acids Trialkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Amino fatty acid - Heterocyclic fatty acid - N-alkylpiperazine - N-methylpiperazine - 1,4-diazinane - Piperazine - Amino acid or derivatives - Amino acid - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as heterocyclic fatty acids. These are fatty acids containing a heterocyclic attached to the acyl chain.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 186.250 g/mol
• XLogP3: -2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 186.137 Da
• Monoisotopic Mass: 186.137 Da
• Topological Polar Surface Area: 43.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 165.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Chongzheng Yan, Zhichao Kong, Yuxue Pan, Zhipeng Fu, Kun Han, Xiaotian Zhao, Jing Zhang, Longyu Bo, Weiyi Sun, Jinxin Gao, Xianghui Dong, Zuolin Zheng, Xiao Yue, Peng Sun, Xinyi Jiang, Chen Chen.  (2026)  Anti-CLEC7A nanobody in situ engineering promotes amyloid-β oligomers clearance by CAR-microglia to alleviate Alzheimer's disease pathology in mice.  JOURNAL OF CONTROLLED RELEASE,      [PMID:41702507] [10.1016/j.jconrel.2026.114710]