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1-(3-Chlorophenyl)piperidine - 97%, high purity , CAS No.102563-84-8
Basic Description
Synonyms
1-(3-chlorophenyl)piperidine | 102563-84-8 | 3-chlorophenyl piperidine | SCHEMBL11922752 | DTXSID30436919 | YJBPOWXASJSUON-UHFFFAOYSA-N | Piperidine, 1-(3-chlorophenyl)- | CEA56384 | MFCD10699658 | AKOS006280711 | SB41458 | BS-19225 | CS-0444700 | A896774
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
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 Chlorobenzenes Aryl chlorides Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylpiperidine - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Azacycle - Organochloride - 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 phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl 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
1-(3-chlorophenyl)piperidine
INCHI
InChI=1S/C11H14ClN/c12-10-5-4-6-11(9-10)13-7-2-1-3-8-13/h4-6,9H,1-3,7-8H2
InChIKey
YJBPOWXASJSUON-UHFFFAOYSA-N
Smiles
C1CCN(CC1)C2=CC(=CC=C2)Cl
Isomeric SMILES
C1CCN(CC1)C2=CC(=CC=C2)Cl
Molecular Weight
195.7
Reaxy-Rn
8480690
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8480690&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
195.690 g/mol
XLogP3
3.600
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
1
Exact Mass
195.081 Da
Monoisotopic Mass
195.081 Da
Topological Polar Surface Area
3.200 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
154.000
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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