1-Benzylpiperidine-4-carboxamide

Base Information

• Chemical Name: 1-Benzylpiperidine-4-carboxamide
• CAS No.: 62992-68-1
• Molecular Formula: C13H18N2O
• Molecular Weight: 218.299
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID20354810
• Wikidata: Q82133246
• Mol file: 62992-68-1.mol

Synonyms:1-benzylpiperidine-4-carboxamide;62992-68-1;1-Benzylpiperidine-4-carboxyamide;1-(phenylmethyl)-4-piperidinecarboxamide;1-Benzylpiperdine-4-carboxyamide;4-Piperidinecarboxamide, 1-(phenylmethyl)-;1-benzyl-4-piperidine carboxamide;SDCCGMLS-0064507.P001;1-benzylisonipecotamide;Cambridge id 5427607;Oprea1_111534;SCHEMBL518686;1-benzyl-4-carbamoylpiperidine;1-benzyl-4-piperidinylcarboxamide;DTXSID20354810;ARYICIJWHSZXTO-UHFFFAOYSA-N;HMS1581E13;STK137623;AKOS000277373;FS-2419;1-benzylpiperidine-4-carboxylic acid amide;1-Benzyl-piperidine-4-carboxylic acid amide;CS-0306553;FT-0743305;EN300-53139;AB00085123-01;W-203342

Chemical Property of 1-Benzylpiperidine-4-carboxamide

Chemical Property:

• Melting Point: 161 °C
• Boiling Point: 390.4±31.0 °C(Predicted)
• PKA: 16.44±0.20(Predicted)
• PSA: 46.33000
• Density: 1.123±0.06 g/cm3(Predicted)
• LogP: 2.02210
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 218.141913202
• Heavy Atom Count: 16
• Complexity: 228

Purity/Quality:

97% ^*data from raw suppliers

1-Benzylpiperidine-4-carboxamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1C(=O)N)CC2=CC=CC=C2

Technology Process of 1-Benzylpiperidine-4-carboxamide

There total 8 articles about 1-Benzylpiperidine-4-carboxamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 85.0%

4-carboxamidopiperidine (39546-32-2) + benzyl bromide (100-39-0) → 1-benzyl-piperidine-4-carboxylic acid amide (62992-68-1)

Guidance literature:

With potassium carbonate; In methanol; Reflux;

DOI:10.1021/acs.jmedchem.6b00426

Reference yield:

4-carboxamidopiperidine (39546-32-2) + benzyl chloride (100-44-7) → 1-benzyl-piperidine-4-carboxylic acid amide (62992-68-1)

Guidance literature:

With caesium carbonate; potassium iodide; In various solvent(s); at 100 ℃; for 5h;

DOI:10.1081/NCN-100002493

Reference yield:

1-benzylpiperidine-4-carboxylic acid methyl ester (10315-06-7) → 1-benzyl-piperidine-4-carboxylic acid amide (62992-68-1)

Guidance literature:

With ammonium hydroxide; In water; at 20 ℃; for 16h; Inert atmosphere;

DOI:10.1055/s-0034-1378881

upstream raw materials:

1-phenylmethyl-4-piperidone

formamide

4-carboxamidopiperidine

benzyl bromide

Downstream raw materials:

4-amino-1-benzylpiperidine

1-benzylpiperidine-4-carbonitrile

4-aminomethyl-1-benzylpiperidine

2-chloro-6-[4-(1-benzyl)piperidinylamino]-9-cyclopentylpurine