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3-hydroxy-1-[(4-methoxyphenyl)methyl]piperidine-2,6-dione - 97%, high purity , CAS No.2357109-89-6
Basic Description
Synonyms
3-Hydroxy-1-(4-methoxybenzyl)piperidine-2,6-dione | 2357109-89-6 | 1-[(4-methoxyphenyl)methyl]piperidine-2,5-dion | 1045720-25-9 | SCHEMBL17062110 | MFCD34181695 | WS-02714 | E71554
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Piperidines
Subclass
Benzylpiperidines
Intermediate Tree Nodes
Not available
Direct Parent
N-benzylpiperidines
Alternative Parents
Piperidinediones Phenoxy compounds Methoxybenzenes Anisoles Delta lactams Alkyl aryl ethers N-substituted carboxylic acid imides Dicarboximides Secondary alcohols Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-benzylpiperidine - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Piperidinedione - Alkyl aryl ether - Delta-lactam - Piperidinone - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Benzenoid - Carboxylic acid imide - Dicarboximide - Lactam - Secondary alcohol - Azacycle - Ether - Carboxylic acid derivative - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Alcohol - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organooxygen 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
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
3-hydroxy-1-[(4-methoxyphenyl)methyl]piperidine-2,6-dione
INCHI
InChI=1S/C13H15NO4/c1-18-10-4-2-9(3-5-10)8-14-12(16)7-6-11(15)13(14)17/h2-5,11,15H,6-8H2,1H3
InChIKey
AXLZMTUJQWSFSF-UHFFFAOYSA-N
Smiles
COC1=CC=C(C=C1)CN2C(=O)CCC(C2=O)O
Isomeric SMILES
COC1=CC=C(C=C1)CN2C(=O)CCC(C2=O)O
PubChem CID
72805684
Molecular Weight
249.26
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
249.260 g/mol
XLogP3
0.400
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
249.1 Da
Monoisotopic Mass
249.1 Da
Topological Polar Surface Area
66.800 Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
323.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
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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