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(4-Benzylpiperazin-1-yl)(piperidin-4-yl)methanone dihydrochloride - ≥95%, high purity , CAS No.1185013-84-6

COA

Grade & Purity:

≥95%

Cas Number: 1185013-84-6
Molecular Weight: 360.33
PubChem CID: 45036890

In stock

Item Number

M732285

Grouped product items
SKU	Size	Availability	Price	Qty
M732285-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$104.90
M732285-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$248.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Piperidines
    - Subclass Piperidinecarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Piperidines
Subclass	Piperidinecarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Piperidinecarboxamides
Alternative Parents	Phenylmethylamines Benzylamines N-alkylpiperazines Aralkylamines Tertiary carboxylic acid amides Trialkylamines Amino acids and derivatives Dialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Piperidinecarboxamide - Benzylamine - Phenylmethylamine - N-alkylpiperazine - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Piperazine - 1,4-diazinane - Tertiary carboxylic acid amide - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Azacycle - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Amine - Hydrochloride - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as piperidinecarboxamides. These are compounds containing a piperidine ring substituted with a carboxamide functional 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

IUPAC Name	(4-benzylpiperazin-1-yl)-piperidin-4-ylmethanone;dihydrochloride
INCHI	InChI=1S/C17H25N3O.2ClH/c21-17(16-6-8-18-9-7-16)20-12-10-19(11-13-20)14-15-4-2-1-3-5-15;;/h1-5,16,18H,6-14H2;2*1H
InChIKey	MNBVMBARLQBNMB-UHFFFAOYSA-N
Smiles	C1CNCCC1C(=O)N2CCN(CC2)CC3=CC=CC=C3.Cl.Cl
Isomeric SMILES	C1CNCCC1C(=O)N2CCN(CC2)CC3=CC=CC=C3.Cl.Cl
PubChem CID	45036890
Molecular Weight	360.33

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	360.300 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	359.153 Da
Monoisotopic Mass	359.153 Da
Topological Polar Surface Area	35.600 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	327.000
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	3

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