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1-tert-Butyl 4-ethyl 4-(pyridin-4-yl)piperidine-1,4-dicarboxylate - 97%, high purity , CAS No.954125-18-9

COA

Grade & Purity:

≥97%

Cas Number: 954125-18-9
Molecular Weight: 334.41
PubChem CID: 58993693

In stock

Item Number

T196052

Grouped product items
SKU	Size	Availability	Price	Qty
T196052-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$48.90
T196052-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$161.90

Discover 1-tert-Butyl 4-ethyl 4-(pyridin-4-yl)piperidine-1,4-dicarboxylate by Aladdin Scientific in 97% for only $48.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	954125-18-9 \| 1-tert-Butyl 4-ethyl 4-(pyridin-4-yl)piperidine-1,4-dicarboxylate \| 1-O-tert-butyl 4-O-ethyl 4-pyridin-4-ylpiperidine-1,4-dicarboxylate \| 1,4-Piperidinedicarboxylic acid, 4-(4-pyridinyl)-, 1-(1,1-dimethylethyl) 4-ethyl ester \| SCHEMBL3591264 \| DTXSID2
Specifications & Purity	≥97%
Shipped In	Normal

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	Piperidinecarboxylic acids
Alternative Parents	Pyridines and derivatives Heteroaromatic compounds Carbamate esters Tertiary amines Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Piperidinecarboxylic acid - Pyridine - Heteroaromatic compound - Carbamic acid ester - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid 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	1-O-tert-butyl 4-O-ethyl 4-pyridin-4-ylpiperidine-1,4-dicarboxylate
INCHI	InChI=1S/C18H26N2O4/c1-5-23-15(21)18(14-6-10-19-11-7-14)8-12-20(13-9-18)16(22)24-17(2,3)4/h6-7,10-11H,5,8-9,12-13H2,1-4H3
InChIKey	SWCFLUIFMCJXPG-UHFFFAOYSA-N
Smiles	CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)C2=CC=NC=C2
Isomeric SMILES	CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)C2=CC=NC=C2
PubChem CID	58993693
Molecular Weight	334.41

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	334.400 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	334.189 Da
Monoisotopic Mass	334.189 Da
Topological Polar Surface Area	68.700 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	444.000
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

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