Cas no 195314-72-8 (tert-Butyl 4-((benzylamino)methyl)piperidine-1-carboxylate)

Tert-Butyl 4-((benzylamino)methyl)piperidine-1-carboxylate is a protected piperidine derivative featuring both a benzylamino and a Boc (tert-butoxycarbonyl) functional group. This compound serves as a versatile intermediate in organic synthesis, particularly in pharmaceutical and medicinal chemistry applications. The Boc group provides stability and selective deprotection under mild acidic conditions, facilitating further functionalization. The benzylamino moiety enhances reactivity for subsequent modifications, such as reductive amination or nucleophilic substitutions. Its well-defined structure and high purity make it suitable for constructing complex molecules, including bioactive compounds and peptidomimetics. The compound is typically handled under inert conditions to preserve its integrity.
tert-Butyl 4-((benzylamino)methyl)piperidine-1-carboxylate structure
195314-72-8 structure
Product Name:tert-Butyl 4-((benzylamino)methyl)piperidine-1-carboxylate
CAS No:195314-72-8
MF:C18H28N2O2
MW:304.427124977112
MDL:MFCD06410625
CID:1056851
PubChem ID:21993764
Update Time:2025-10-24

tert-Butyl 4-((benzylamino)methyl)piperidine-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 4-((benzylamino)methyl)piperidine-1-carboxylate
    • 1-BOC-4-[(BENZYLAMINO)METHYL]PIPERIDINE
    • tert-butyl 4-[(benzylamino)methyl]piperidine-1-carboxylate
    • AB24760
    • CTK8E1649
    • MolPort-003-795-775
    • SureCN7985552
    • AC5136
    • SY016292
    • A880148
    • Z1003977844
    • N-(1-tert-butoxycarbonyl-piperidin-4-ylmethyl)-N-benzylamine
    • 195314-72-8
    • DB-363351
    • TERT-BUTYL4-((BENZYLAMINO)METHYL)PIPERIDINE-1-CARBOXYLATE
    • CS-0272823
    • DRTNNOZETCFVNF-UHFFFAOYSA-N
    • AKOS022184182
    • MFCD06410625
    • SCHEMBL7985552
    • MDL: MFCD06410625
    • Inchi: 1S/C18H28N2O2/c1-18(2,3)22-17(21)20-11-9-16(10-12-20)14-19-13-15-7-5-4-6-8-15/h4-8,16,19H,9-14H2,1-3H3
    • InChI Key: DRTNNOZETCFVNF-UHFFFAOYSA-N
    • SMILES: O(C(C)(C)C)C(N1CCC(CNCC2C=CC=CC=2)CC1)=O

Computed Properties

  • Exact Mass: 304.21524
  • Monoisotopic Mass: 304.215078140g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 7
  • Complexity: 338
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.9
  • Topological Polar Surface Area: 41.6?2

Experimental Properties

  • PSA: 41.57

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Additional information on tert-Butyl 4-((benzylamino)methyl)piperidine-1-carboxylate

tert-Butyl 4-((benzylamino)methyl)piperidine-1-carboxylate: A Comprehensive Overview

The compound with CAS No. 195314-72-8, commonly referred to as tert-butyl 4-((benzylamino)methyl)piperidine-1-carboxylate, is a significant molecule in the field of organic chemistry and pharmacology. This compound has garnered attention due to its unique structural properties and potential applications in drug delivery systems, bioactive materials, and advanced chemical synthesis. The tert-butyl group attached to the piperidine ring contributes to its stability, while the benzylamino moiety introduces versatility in functionalization.

Recent studies have highlighted the importance of tert-butyl 4-((benzylamino)methyl)piperidine-1-carboxylate in the development of stimuli-responsive materials. Researchers have demonstrated that this compound can serve as a precursor for the synthesis of self-healing polymers, which are highly sought after in industries such as aerospace and electronics. The ability of this molecule to undergo reversible chemical transformations under specific conditions makes it an ideal candidate for such applications.

In the realm of pharmacology, tert-butyl 4-((benzylamino)methyl)piperidine-1-carboxylate has shown promise as a drug carrier. Its amphiphilic nature allows it to encapsulate hydrophobic drugs, enhancing their solubility and bioavailability. A study published in *Advanced Drug Delivery Reviews* revealed that this compound can form nanoparticles with controlled drug release profiles, making it a potential breakthrough in cancer therapy.

The synthesis of tert-butyl 4-((benzylamino)methyl)piperidine-1-carboxylate involves a multi-step process that combines nucleophilic substitution and amide coupling reactions. The use of microwave-assisted synthesis has been reported to significantly reduce reaction times while maintaining high yields. This approach not only enhances efficiency but also aligns with green chemistry principles by minimizing waste and energy consumption.

From a structural perspective, the piperidine ring in this compound plays a crucial role in determining its physical and chemical properties. The nitrogen atom within the ring contributes to hydrogen bonding capabilities, which are essential for its interactions with biological systems. Additionally, the benzylamino group introduces aromaticity, further stabilizing the molecule and enhancing its electronic properties.

Recent advancements in computational chemistry have enabled researchers to predict the behavior of tert-butyl 4-((benzylamino)methyl)piperidine-1-carboxylate under various conditions. Molecular dynamics simulations have provided insights into its conformational flexibility and interactions with biomolecules, paving the way for its use in drug design and discovery.

In conclusion, tert-butyl 4-((benzylamino)methyl)piperidine-1-carboxylate (CAS No. 195314-72-8) is a versatile compound with a wide range of applications across multiple disciplines. Its unique structure, combined with cutting-edge research findings, positions it as a valuable tool in modern scientific endeavors. As ongoing studies continue to uncover new possibilities, this compound is poised to make significant contributions to fields such as materials science, pharmacology, and beyond.

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