Cas no 851014-13-6 (1-benzyl-3-(propan-2-yl)piperazine)

1-Benzyl-3-(propan-2-yl)piperazine is a piperazine derivative with potential applications in pharmaceutical and chemical research. Its structure features a benzyl group at the 1-position and an isopropyl substituent at the 3-position, offering versatility in synthetic modifications. This compound is of interest due to its role as an intermediate in the synthesis of biologically active molecules, including CNS-targeting agents. The presence of both aromatic and aliphatic moieties enhances its utility in structure-activity relationship studies. It is typically handled under controlled conditions due to its reactive functional groups. Researchers value this compound for its well-defined chemical properties and compatibility with further derivatization, making it a useful building block in medicinal chemistry.
1-benzyl-3-(propan-2-yl)piperazine structure
851014-13-6 structure
Product Name:1-benzyl-3-(propan-2-yl)piperazine
CAS No:851014-13-6
MF:C14H22N2
MW:218.337883472443
MDL:MFCD12025408
CID:706904
PubChem ID:22277326
Update Time:2025-05-21

1-benzyl-3-(propan-2-yl)piperazine Chemical and Physical Properties

Names and Identifiers

    • Piperazine, 3-(1-methylethyl)-1-(phenylmethyl)-
    • 1-benzyl-3-isopropylpiperazine
    • 1-benzyl-3-(propan-2-yl)piperazine
    • 3-(1-Methylethyl)-1-(phenylmethyl)piperazine (ACI)
    • 1-Benzyl-3-propan-2-ylpiperazine
    • 851014-13-6
    • HPOGZEGDXGTDSX-UHFFFAOYSA-N
    • SB12548
    • PD117976
    • SCHEMBL1189622
    • F2147-0833
    • DB-076253
    • E85630
    • AKOS014162680
    • EN300-237536
    • DTXSID20624202
    • SB12547
    • CS-0183522
    • AB50190
    • MDL: MFCD12025408
    • Inchi: 1S/C14H22N2/c1-12(2)14-11-16(9-8-15-14)10-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3
    • InChI Key: HPOGZEGDXGTDSX-UHFFFAOYSA-N
    • SMILES: C1C=CC(CN2CC(C(C)C)NCC2)=CC=1

Computed Properties

  • Exact Mass: 218.178298710g/mol
  • Monoisotopic Mass: 218.178298710g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 197
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.5
  • Topological Polar Surface Area: 15.3?2

Experimental Properties

  • Density: 0.974
  • Boiling Point: 310℃
  • Flash Point: 113℃

1-benzyl-3-(propan-2-yl)piperazine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
B150986-100mg
1-Benzyl-3-isopropylpiperazine
851014-13-6
100mg
$ 95.00 2022-06-07
TRC
B150986-500mg
1-Benzyl-3-isopropylpiperazine
851014-13-6
500mg
$ 365.00 2022-06-07
TRC
B150986-1g
1-Benzyl-3-isopropylpiperazine
851014-13-6
1g
$ 570.00 2022-06-07
eNovation Chemicals LLC
Y1248252-100mg
Piperazine, 3-(1-methylethyl)-1-(phenylmethyl)-
851014-13-6 97%
100mg
$75 2024-06-07
eNovation Chemicals LLC
Y1248252-250mg
Piperazine, 3-(1-methylethyl)-1-(phenylmethyl)-
851014-13-6 97%
250mg
$110 2024-06-07
eNovation Chemicals LLC
Y1248252-1g
Piperazine, 3-(1-methylethyl)-1-(phenylmethyl)-
851014-13-6 97%
1g
$245 2024-06-07
Enamine
EN300-237536-0.05g
1-benzyl-3-(propan-2-yl)piperazine
851014-13-6 95%
0.05g
$587.0 2024-06-19
Enamine
EN300-237536-0.1g
1-benzyl-3-(propan-2-yl)piperazine
851014-13-6 95%
0.1g
$615.0 2024-06-19
Enamine
EN300-237536-0.25g
1-benzyl-3-(propan-2-yl)piperazine
851014-13-6 95%
0.25g
$642.0 2024-06-19
Enamine
EN300-237536-0.5g
1-benzyl-3-(propan-2-yl)piperazine
851014-13-6 95%
0.5g
$671.0 2024-06-19

Additional information on 1-benzyl-3-(propan-2-yl)piperazine

1-Benzyl-3-(Propan-2-yl)Piperazine

The compound 1-benzyl-3-(propan-2-yl)piperazine (CAS No. 851014-13-6) is a heterocyclic organic compound with a piperazine backbone. Piperazines are six-membered rings consisting of four carbon atoms and two nitrogen atoms, making them a class of azacyclohexanes. The specific structure of this compound includes a benzyl group attached to the first nitrogen atom and an isopropyl group attached to the third carbon atom of the piperazine ring. This unique substitution pattern gives the compound its distinct chemical properties and potential applications in various fields, including pharmaceuticals, agrochemicals, and materials science.

Recent studies have highlighted the importance of piperazine derivatives in drug discovery. The benzyl group in 1-benzyl-3-(propan-2-yl)piperazine contributes to the compound's lipophilicity, which is a critical factor in drug bioavailability. Additionally, the isopropyl group enhances the molecule's stability and may influence its interaction with biological targets. These properties make the compound a promising candidate for further exploration in medicinal chemistry.

In terms of synthesis, 1-benzyl-3-(propan-2-yl)piperazine can be prepared through various methods, including nucleophilic substitution and ring-closing reactions. One common approach involves the reaction of benzylamine with an appropriately substituted aldehyde or ketone, followed by cyclization to form the piperazine ring. The choice of synthetic pathway depends on the availability of starting materials and the desired purity of the final product.

From a structural perspective, the piperazine ring in 1-benzyl-3-(propan-2-yl)piperazine is highly flexible, allowing for diverse conformations that can interact with biological macromolecules such as proteins and enzymes. This flexibility is advantageous in drug design, as it can lead to improved binding affinities and selectivity for specific targets. Recent research has focused on modifying the substituents on the piperazine ring to optimize these interactions.

The benzyl group in this compound also plays a role in modulating its pharmacokinetic properties. For instance, it can influence absorption, distribution, metabolism, and excretion (ADME) profiles, which are critical factors in determining a drug's efficacy and safety. Studies have shown that benzyl-substituted piperazines exhibit favorable pharmacokinetic characteristics, making them attractive for further development.

In addition to its potential in pharmaceutical applications, 1-benzyl-3-(propan-2-yl)piperazine has shown promise in materials science. Its ability to form stable complexes with metal ions makes it a candidate for use in coordination polymers and metal organic frameworks (MOFs). These materials have applications in catalysis, gas storage, and sensing technologies.

Recent advancements in computational chemistry have enabled researchers to predict the behavior of 1-benzyl-3-(propan-2-yl)piperazine under various conditions. Molecular modeling studies have provided insights into its electronic structure, reactivity, and potential interactions with biological systems. These computational tools are invaluable for guiding experimental efforts and accelerating drug discovery processes.

In conclusion, 1-benzyl-3-(propan-2-yli)piperazine (CAS No. 851014777) is a versatile compound with significant potential across multiple disciplines. Its unique structure, combined with recent advances in chemical research, positions it as a valuable tool for developing innovative solutions in medicine and materials science.

Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Suzhou Senfeida Chemical Co., Ltd
Shanghai Bent Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nantong Boya Environmental Protection Technology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nantong Boya Environmental Protection Technology Co., Ltd
SunaTech Inc.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
SunaTech Inc.
TAIXING JOXIN BIO-TEC CO.,LTD.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
TAIXING JOXIN BIO-TEC CO.,LTD.