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4-[(2,4-difluorophenyl)methyl]piperidine - ≧95%, high purity , CAS No.203860-02-0
Discover 4-[(2,4-difluorophenyl)methyl]piperidine by Aladdin Scientific in ≧95% for only $69.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
4-(2,4-Difluorobenzyl)piperidine | 203860-02-0 | 4-[(2,4-Difluorophenyl)methyl]piperidine | 4-(2,4-difluoro-benzyl)-piperidine | Piperidine, 4-[(2,4-difluorophenyl)methyl]- | SCHEMBL1322888 | DTXSID60594915 | VXQMAHFHVBQZHC-UHFFFAOYSA-N | AKOS012095742 | CS-0269269 | C78031 |
Specifications & Purity
≥95%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Piperidines
Subclass
Benzylpiperidines
Intermediate Tree Nodes
Not available
Direct Parent
4-benzylpiperidines
Alternative Parents
Fluorobenzenes Aralkylamines Aryl fluorides Dialkylamines Azacyclic compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-benzylpiperidine - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Secondary aliphatic amine - Secondary amine - Azacycle - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 4-benzylpiperidines. These are organic compounds containing a benzyl group attached to the 4-position of a piperidine.
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
4-[(2,4-difluorophenyl)methyl]piperidine
INCHI
InChI=1S/C12H15F2N/c13-11-2-1-10(12(14)8-11)7-9-3-5-15-6-4-9/h1-2,8-9,15H,3-7H2
InChIKey
VXQMAHFHVBQZHC-UHFFFAOYSA-N
Smiles
C1CNCCC1CC2=C(C=C(C=C2)F)F
Isomeric SMILES
C1CNCCC1CC2=C(C=C(C=C2)F)F
Molecular Weight
211.25
Reaxy-Rn
11322482
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11322482&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
211.250 g/mol
XLogP3
2.700
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
211.117 Da
Monoisotopic Mass
211.117 Da
Topological Polar Surface Area
12.000 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
192.000
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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