Skip to the beginning of the images gallery

4-(4-Cyanophenyl)-1-Piperazinecarboxylic Acid 1,1-Dimethylethyl Ester - 98%, high purity , CAS No.186650-98-6

COA

Grade & Purity:

≥98%

Cas Number: 186650-98-6
Molecular Weight: 287.4
PubChem CID: 2795512
PubChem SID: 504762171

In stock

Item Number

B182329

Grouped product items
SKU	Size	Availability	Price
B182329-50mg	50mg	3	$9.90
B182329-250mg	250mg	3	$15.90
B182329-1g	1g	3	$20.90
B182329-5g	5g	1	$70.90

Basic Description

Synonyms	186650-98-6 \| tert-butyl 4-(4-cyanophenyl)piperazine-1-carboxylate \| 1-Boc-4-(4-cyanophenyl)piperazine \| TERT-BUTYL 4-(4-CYANOPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE \| 4-(4-BOC-PIPERAZINO)BENZONITRILE \| 4-(4-Cyano-phenyl)-piperazine-1-carboxylic acid tert-butyl
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazinanes
    - Subclass Piperazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazinanes
Subclass	Piperazines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpiperazines
Alternative Parents	N-arylpiperazines Piperazine carboxylic acids Dialkylarylamines Benzonitriles Aniline and substituted anilines Carbamate esters Organic carbonic acids and derivatives Nitriles Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylpiperazine - N-arylpiperazine - Piperazine-1-carboxylic acid - Benzonitrile - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Tertiary amine - Carbonic acid derivative - Azacycle - Carbonitrile - Nitrile - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Amine - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
External Descriptors	Not available
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

Names and Identifiers

Pubchem Sid	504762171
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504762171
IUPAC Name	tert-butyl 4-(4-cyanophenyl)piperazine-1-carboxylate
INCHI	InChI=1S/C16H21N3O2/c1-16(2,3)21-15(20)19-10-8-18(9-11-19)14-6-4-13(12-17)5-7-14/h4-7H,8-11H2,1-3H3
InChIKey	WIBWVYVIBJOVIW-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)C#N
Isomeric SMILES	CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)C#N
Molecular Weight	287.4
Reaxy-Rn	7818428
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7818428&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot Number	Certificate Type	Date	Item
K1809130	Certificate of Analysis	Jun 04, 2024	B182329
K1809129	Certificate of Analysis	Jun 04, 2024	B182329

Chemical and Physical Properties

Molecular Weight	287.360 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	287.163 Da
Monoisotopic Mass	287.163 Da
Topological Polar Surface Area	56.600 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	405.000
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration