Name: 2-(1-Piperidinyl)phenylboronic acid - ≥98% , CAS No.1050505-85-5
Brand: Aladdin Scientific
SKU: P179022
Availability: InStock

Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Piperidines
Subclass	Phenylpiperidines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpiperidines
Alternative Parents	Dialkylarylamines Aniline and substituted anilines Boronic acids Organic metalloid salts Azacyclic compounds Organometalloid compounds Organic oxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylpiperidine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Boronic acid derivative - Boronic acid - Tertiary amine - Azacycle - Organic metalloid salt - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organic metalloid moeity - Amine - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

3D Structure

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	205.060 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	205.127 Da
Monoisotopic Mass	205.127 Da
Topological Polar Surface Area	43.700 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	195.000
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

Solution Calculators

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Reviews

Canonical Smiles	B(C1=CC=CC=C1N2CCCCC2)(O)O
IUPAC Name	(2-piperidin-1-ylphenyl)boronic acid
InChIKey	NPZUBLWFOBRQAV-UHFFFAOYSA-N
INCHI	1S/C11H16BNO2/c14-12(15)10-6-2-3-7-11(10)13-8-4-1-5-9-13/h2-3,6-7,14-15H,1,4-5,8-9H2
Isomeric SMILES	B(C1=CC=CC=C1N2CCCCC2)(O)O
PubChem CID	4192666
Molecular Weight	205.1

2-(1-Piperidinyl)phenylboronic acid - ≥98% , CAS No.1050505-85-5

Specifications