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tert-butyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate - 97%, high purity
Discover tert-butyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate by Aladdin Scientific in 97% for only $254.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
389889-80-9 | tert-Butyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate | 1-Boc-4-hydroxy-4-(hydroxymethyl)-piperidine | 1-boc-4-hydroxy-4-(hydroxymethyl)piperidine | MFCD08062514 | 1-Boc-4-(hydroxymethyl)piperidin-4-ol | SCHEMBL2349423 | DTXSID70626711 | BKZFMSPPZX
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
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
Tertiary alcohols Carbamate esters 1,2-diols Azacyclic compounds Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Piperidinecarboxylic acid - Carbamic acid ester - Tertiary alcohol - 1,2-diol - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - 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
tert-butyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate
INCHI
InChI=1S/C11H21NO4/c1-10(2,3)16-9(14)12-6-4-11(15,8-13)5-7-12/h13,15H,4-8H2,1-3H3
InChIKey
BKZFMSPPZXDTJL-UHFFFAOYSA-N
Smiles
CC(C)(C)OC(=O)N1CCC(CC1)(CO)O
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
231.290 g/mol
XLogP3
0.100
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
231.147 Da
Monoisotopic Mass
231.147 Da
Topological Polar Surface Area
70.000 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
251.000
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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