Skip to the beginning of the images gallery

1-Benzyl-3-piperidone - 97%, high purity , CAS No.40114-49-6

COA

Grade & Purity:

≥97%

Cas Number: 40114-49-6
Molecular Weight: 189.25
PubChem CID: 96650
PubChem SID: 504756329

In stock

Item Number

B193233

Grouped product items
SKU	Size	Availability	Price
B193233-250mg	250mg	3	$19.90
B193233-1g	1g	3	$49.90
B193233-5g	5g	2	$169.90
B193233-25g	25g	1	$607.90

View related series

Piperidines (267)

Basic Description

Synonyms	1-benzylpiperidin-3-one \| 40114-49-6 \| 1-Benzyl-3-piperidone \| 1-Benzyl-3-piperidinone \| 3-Piperidinone, 1-(phenylmethyl)- \| N-benzyl-3-piperidone \| n-benzyl-3-piperidinone \| MFCD00023277 \| 1-(phenylmethyl)-3-piperidinone \| NSC84168 \| l-benzyl-3-piperidinone \| 1-Benzyl-3-piper
Specifications & Purity	≥97%
Storage Temp	Store at -20°C,Argon charged
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Application： 1-Benzylpiperidin-3-one can be used to inhibit gastric acid secretion.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Piperidines
    - Subclass Benzylpiperidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Piperidines
Subclass	Benzylpiperidines
Intermediate Tree Nodes	Not available
Direct Parent	N-benzylpiperidines
Alternative Parents	Phenylmethylamines Benzylamines Piperidinones Aralkylamines Trialkylamines Cyclic ketones Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	N-benzylpiperidine - Benzylamine - Phenylmethylamine - Piperidinone - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Ketone - Tertiary amine - Tertiary aliphatic amine - Cyclic ketone - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Amine - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
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	504756329
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504756329
IUPAC Name	1-benzylpiperidin-3-one
INCHI	InChI=1S/C12H15NO/c14-12-7-4-8-13(10-12)9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2
InChIKey	BBQQULRBTOMLTC-UHFFFAOYSA-N
Smiles	C1CC(=O)CN(C1)CC2=CC=CC=C2
Isomeric SMILES	C1CC(=O)CN(C1)CC2=CC=CC=C2
Molecular Weight	189.25
Reaxy-Rn	135585
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=135585&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.

6 results found

Lot Number	Certificate Type	Date	Item
C2412089	Certificate of Analysis	Jan 25, 2024	B193233
C2412090	Certificate of Analysis	Jan 25, 2024	B193233
J2209122	Certificate of Analysis	Sep 03, 2022	B193233
J2209123	Certificate of Analysis	Sep 03, 2022	B193233
J2209130	Certificate of Analysis	Sep 03, 2022	B193233
J2209131	Certificate of Analysis	Sep 03, 2022	B193233

Chemical and Physical Properties

Molecular Weight	189.250 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	189.115 Da
Monoisotopic Mass	189.115 Da
Topological Polar Surface Area	20.300 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	196.000
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