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tert-butyl (3R)-3-benzylpiperazine-1-carboxylate - 97%, high purity
Discover tert-butyl (3R)-3-benzylpiperazine-1-carboxylate by Aladdin Scientific in 97% for only $1,518.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
(R)-1-BOC-3-BENZYLPIPERAZINE | 947272-49-3 | (R)-1-Boc-3-benzyl-piperazine | tert-butyl (3R)-3-benzylpiperazine-1-carboxylate | (R)-tert-butyl 3-benzylpiperazine-1-carboxylate | MFCD07772103 | tert-butyl (R)-3-benzylpiperazine-1-carboxylate | SCHEMBL3494790 | DTXSID90650
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazinanes
Subclass
Piperazines
Intermediate Tree Nodes
Piperazine carboxylic acids and derivatives
Direct Parent
Piperazine carboxylic acids
Alternative Parents
Aralkylamines Benzene and substituted derivatives Carbamate esters Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Piperazine-1-carboxylic acid - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Secondary aliphatic amine - Secondary amine - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as piperazine carboxylic acids. These are heterocyclic compounds containing a piperazine ring substituted by one or more carboxylic acid groups.
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 (3R)-3-benzylpiperazine-1-carboxylate
INCHI
InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-10-9-17-14(12-18)11-13-7-5-4-6-8-13/h4-8,14,17H,9-12H2,1-3H3/t14-/m1/s1
InChIKey
YFIAVMMGSRDLLG-CQSZACIVSA-N
Smiles
CC(C)(C)OC(=O)N1CCNC(C1)CC2=CC=CC=C2
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
276.370 g/mol
XLogP3
2.500
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
276.184 Da
Monoisotopic Mass
276.184 Da
Topological Polar Surface Area
41.600 Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
319.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
1
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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