The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
[(3S,4R)-4-Phenyl-1-methylpiperidinyl]methanol - ≥98%, high purity , CAS No.176022-03-0
Basic Description
Synonyms
176022-03-0 | 50373-13-2 | 3-Piperidinemethanol, 1-methyl-4-phenyl-, trans- | 3-Piperidinemethanol, 1-methyl-4-phenyl-, (3S,4R)- | [(3S,4R)-1-methyl-4-phenylpiperidin-3-yl]methanol | (trans-1-Methyl-4-phenylpiperidin-3-yl)methanol | (3S,4R)-1-Methyl-4-phenyl-3-piperi
Specifications & Purity
≥98%
Storage Temp
Room temperature,Desiccated
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 Benzene and substituted derivatives 1,3-aminoalcohols Trialkylamines Azacyclic compounds Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylpiperidine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - 1,3-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organic oxygen compound - Alcohol - Primary alcohol - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - 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
[(3S,4R)-1-methyl-4-phenylpiperidin-3-yl]methanol
INCHI
InChI=1S/C13H19NO/c1-14-8-7-13(12(9-14)10-15)11-5-3-2-4-6-11/h2-6,12-13,15H,7-10H2,1H3/t12-,13-/m0/s1
InChIKey
PTRITADCAOWGKC-STQMWFEESA-N
Smiles
CN1CCC(C(C1)CO)C2=CC=CC=C2
Isomeric SMILES
CN1CC[C@H]([C@@H](C1)CO)C2=CC=CC=C2
PubChem CID
9820015
Molecular Weight
205.3
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
205.300 g/mol
XLogP3
1.700
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
205.147 Da
Monoisotopic Mass
205.147 Da
Topological Polar Surface Area
23.500 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
189.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
2
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
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
