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tert-Butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate - 95%, high purity
Basic Description
Synonyms
301225-40-1 | tert-butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate | Tert-Butyl 4-(2-Pyrimidinylamino)Tetrahydro-1(2H)-Pyridinecarboxylate | SCHEMBL4062890 | DTXSID10377215 | DKOVCTZXGVMJIV-UHFFFAOYSA-N | BMA22540 | MFCD04117813 | AKOS005070496 | 4P-322S | CS-0366458 | F
Specifications & Purity
≥95%
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
Secondary alkylarylamines Aminopyrimidines and derivatives Heteroaromatic compounds Carbamate esters Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Piperidinecarboxylic acid - Aminopyrimidine - Secondary aliphatic/aromatic amine - Pyrimidine - Carbamic acid ester - Heteroaromatic compound - Carbonic acid derivative - Azacycle - Secondary amine - Amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - 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
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-(pyrimidin-2-ylamino)piperidine-1-carboxylate
INCHI
InChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18-9-5-11(6-10-18)17-12-15-7-4-8-16-12/h4,7-8,11H,5-6,9-10H2,1-3H3,(H,15,16,17)
InChIKey
DKOVCTZXGVMJIV-UHFFFAOYSA-N
Smiles
CC(C)(C)OC(=O)N1CCC(CC1)NC2=NC=CC=N2
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
278.350 g/mol
XLogP3
2.000
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
4
Exact Mass
278.174 Da
Monoisotopic Mass
278.174 Da
Topological Polar Surface Area
67.400 Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
316.000
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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