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methyl (2R,4R)-2-methylpiperidine-4-carboxylate;hydrochloride - 97%, high purity , CAS No.1523530-24-6
Basic Description
Synonyms
1523530-24-6 | cis-2-methylpiperidine-4-carboxylic acid methyl ester hydrochloride | (2R,4R)-Methyl 2-methylpiperidine-4-carboxylate hydrochloride | 2307769-97-5 | cis-2-Methylpiperidine-4-carboxylic acid methyl ester HCl | 1254328-22-7 | METHYL (2R,4R)-2
Specifications & Purity
≥97%
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Piperidines
Subclass
Piperidinecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Piperidinecarboxylic acids
Alternative Parents
Methyl esters Amino acids and derivatives Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Piperidinecarboxylic acid - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Secondary aliphatic amine - Azacycle - Monocarboxylic acid or derivatives - Secondary amine - Amine - Organooxygen compound - Organonitrogen compound - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aliphatic 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
Data sources
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.
Names and Identifiers
IUPAC Name
methyl (2R,4R)-2-methylpiperidine-4-carboxylate;hydrochloride
INCHI
InChI=1S/C8H15NO2.ClH/c1-6-5-7(3-4-9-6)8(10)11-2;/h6-7,9H,3-5H2,1-2H3;1H/t6-,7-;/m1./s1
InChIKey
UARIIFVOZSXRPR-ZJLYAJKPSA-N
Smiles
CC1CC(CCN1)C(=O)OC.Cl
Isomeric SMILES
C[C@@H]1C[C@@H](CCN1)C(=O)OC.Cl
PubChem CID
86811247
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
193.670 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
193.087 Da
Monoisotopic Mass
193.087 Da
Topological Polar Surface Area
38.300 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
147.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
2
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
2
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