4-Anilino-1-benzylpiperidine-4-carbonitrile

Base Information

• Chemical Name: 4-Anilino-1-benzylpiperidine-4-carbonitrile
• CAS No.: 968-86-5
• Molecular Formula: C19H21N3
• Molecular Weight: 291.396
• Hs Code.: 2933399090
• European Community (EC) Number: 213-533-0
• NSC Number: 73005
• UNII: YG5JYO1RM2
• DSSTox Substance ID: DTXSID90242513
• Nikkaji Number: J298.572A
• Wikidata: Q72443381
• ChEMBL ID: CHEMBL2135258
• Mol file: 968-86-5.mol

Synonyms:968-86-5;1-benzyl-4-(phenylamino)piperidine-4-carbonitrile;4-Anilino-1-benzylpiperidine-4-carbonitrile;1-BENZYL-4-CYANO-4-(PHENYLAMINO)PIPERIDINE;1-Benzyl-4-phenylamino-4-cyano-piperidine;1-Benzyl-4-phenylamino-piperidine-4-carbonitrile;4-Piperidinecarbonitrile, 4-(phenylamino)-1-(phenylmethyl)-;4-Anilino-1-benzyl-4-cyanopiperidine;4-(Phenylamino)-1-benzyl-4-piperidinecarbonitrile;EINECS 213-533-0;MFCD00086217;NSC-73005;SMR000431508;fentanyl cyanide;NSC73005;Oprea1_077623;Oprea1_583104;MLS000768129;MLS003960115;SCHEMBL2985757;CHEMBL2135258;DTXSID90242513;HMS1648C20;HMS2785A19;AMY22627;NSC 73005;STK504026;1-benzyl-4-cyano-4-anilinopiperidine;N-Benzyl-4-anilino-4-cyanopiperidine;4-Anilino-4-cyano-1-benzylpiperidine;AKOS000265609;CS-W013993;HS-0023;SB43793;NCGC00246472-01;SY083265;4-Anilino-1-benzyl-4-piperidinecarbonitrile;EU-0099857;FT-0673693;benzyl-4-phenylamino-piperidine-4-carbonitrile;4-Anilino-1-benzyl-4-piperidinecarbonitrile #;1-BenZyl-4-phenylaminopiperidine-4-carbonitrile;1-Benzyl-4-(phenylamino)-4-piperidinecarbonitrile;1-benzyl-4-(phenylamino)piperidine-4-carbonitril;SR-01000596967;Piperidine-4-carbonitrile, 1-benzyl-4-phenylamino-;SR-01000596967-1;4-(Phenylamino)-1-(phenylmethyl)-4-piperidinenitrile;BRD-K41215924-001-07-8;REMIFENTANIL HYDROCHLORIDE IMPURITY H [EP IMPURITY]

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Chemical Property of 4-Anilino-1-benzylpiperidine-4-carbonitrile

Chemical Property:

• Vapor Pressure: 4.64E-09mmHg at 25°C
• Refractive Index: 1.62
• Boiling Point: 471.5 °C at 760 mmHg
• Flash Point: 238.9 °C
• PSA: 39.06000
• Density: 1.14 g/cm³
• LogP: 3.66778
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 291.173547683
• Heavy Atom Count: 22
• Complexity: 377

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CN(CCC1(C#N)NC2=CC=CC=C2)CC3=CC=CC=C3
• Uses: 4-Anilino-1-benzyl-4-cyanopiperidine is used as modulators of muscarinic receptors for treatment of CNS disorders.

Technology Process of 4-Anilino-1-benzylpiperidine-4-carbonitrile

There total 11 articles about 4-Anilino-1-benzylpiperidine-4-carbonitrile 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: 90.0%

1-phenylmethyl-4-piperidone (3612-20-2) + potassium cyanide (151-50-8) + aniline (62-53-3) → 1-benzyl-4-(phenylamino)piperidine-4-carbonitrile (968-86-5)

Guidance literature:

In water; acetic acid; at 25 ℃; for 24h;

Reference yield: 89.0%

1-phenylmethyl-4-piperidone (3612-20-2) + trimethylsilyl cyanide (7677-24-9) + aniline (62-53-3) → 1-benzyl-4-(phenylamino)piperidine-4-carbonitrile (968-86-5)

Guidance literature:

1-phenylmethyl-4-piperidone; trimethylsilyl cyanide; aniline; In acetic acid; at 0 - 40 ℃; for 1.16667h;

With ammonia; In water; at 0 ℃; pH=10;

Reference yield: 88.0%

potassium cyanide + 1-phenylmethyl-4-piperidone (3612-20-2) + aniline (62-53-3) → 1-benzyl-4-(phenylamino)piperidine-4-carbonitrile (968-86-5)

Guidance literature:

1-phenylmethyl-4-piperidone; aniline; With acetic acid; at 0 ℃;

potassium cyanide; In water; for 18.5h;

DOI:10.1248/cpb.57.1421

upstream raw materials:

1-phenylmethyl-4-piperidone

trimethylsilyl cyanide

aniline

potassium cyanide

Downstream raw materials:

(1-Benzyl-4-thiazol-2-yl-piperidin-4-yl)-phenyl-amine

4-(2-furoyl)-4-anilinopiperidine

4-(2-thienyl)-4-anilinopiperidine

[1-Benzyl-4-(4,5-dimethyl-thiazol-2-yl)-piperidin-4-yl]-phenyl-amine