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R(+)-3-(3-Hydroxyphenyl)-N-propylpiperidine hydrochloride , CAS No.89874-80-6
Basic Description
Synonyms
R(+)-3PPP hydrochloride | R(+)-3-PPP hydrochloride | NCGC00261671-01 | SR-01000075393 | CCG-222290 | Preclamol hydrochloride, (R)- | S695806J1A | SMR000326829 | SR-01000075393-2 | CAS-89874-80-6 | CS-0142464 | R(+)-3-(3-Hydroxyphenyl)-N-propylpiperidine h
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
Aralkylamines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Trialkylamines Azacyclic compounds Organopnictogen compounds Organooxygen compounds Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylpiperidine - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Azacycle - Amine - Hydrochloride - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - 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
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
3-[(3R)-1-propylpiperidin-3-yl]phenol;hydrochloride
INCHI
InChI=1S/C14H21NO.ClH/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12;/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3;1H/t13-;/m0./s1
InChIKey
NRHUDETYKUBQJT-ZOWNYOTGSA-N
Smiles
CCCN1CCCC(C1)C2=CC(=CC=C2)O.Cl
Isomeric SMILES
CCCN1CCC[C@@H](C1)C2=CC(=CC=C2)O.Cl
WGK Germany
3
Molecular Weight
255.78
Reaxy-Rn
6076941
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6076941&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Slightly soluble in H2O: 150 mg/mL and ethanol
Molecular Weight
255.780 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
255.139 Da
Monoisotopic Mass
255.139 Da
Topological Polar Surface Area
23.500 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
207.000
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
2
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