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2-(3-Methoxyphenyl)piperidine , CAS No.383128-22-1
Basic Description
Synonyms
2-(3-methoxyphenyl)piperidine | 383128-22-1 | Piperidine, 2-(3-methoxyphenyl)- | SCHEMBL3154247 | DTXSID10401362 | MFCD02663592 | AKOS000195382 | AKOS022142373 | SB41624 | BS-37815 | 2-(3-Methoxyphenyl)piperidine, AldrichCPR | FT-0683375 | Y11288 | EN300-1153274
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
Phenoxy compounds Methoxybenzenes Anisoles Aralkylamines Alkyl aryl ethers Dialkylamines Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylpiperidine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Secondary aliphatic amine - Ether - Azacycle - Secondary amine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen 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
2-(3-methoxyphenyl)piperidine
INCHI
InChI=1S/C12H17NO/c1-14-11-6-4-5-10(9-11)12-7-2-3-8-13-12/h4-6,9,12-13H,2-3,7-8H2,1H3
InChIKey
ZGWPCADYBFMCJT-UHFFFAOYSA-N
Smiles
COC1=CC=CC(=C1)C2CCCCN2
Isomeric SMILES
COC1=CC=CC(=C1)C2CCCCN2
WGK Germany
3
Molecular Weight
191.27
Reaxy-Rn
9621396
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9621396&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
191.270 g/mol
XLogP3
2.100
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
191.131 Da
Monoisotopic Mass
191.131 Da
Topological Polar Surface Area
21.300 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
172.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
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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