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2-(1-methylpiperidin-3-yl)ethan-1-ol - 97%, high purity , CAS No.101257-32-3
Basic Description
Synonyms
101257-32-3 | 2-(1-METHYLPIPERIDIN-3-YL)ETHAN-1-OL | 2-(1-methylpiperidin-3-yl)ethanol | 2-(1-METHYL-3-PIPERIDINYL)-1-ETHANOL | 3-Piperidineethanol, 1-methyl- | 1-METHYLPIPERIDINE-3-ETHANOL | SCHEMBL1099315 | CHEMBL4517631 | DTXSID90617141 | PLZATTBQOOIXMS-UHFFFAOYSA-N | BEA
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Piperidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Piperidines
Alternative Parents
Trialkylamines Azacyclic compounds Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Piperidine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms.
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(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
2-(1-methylpiperidin-3-yl)ethanol
INCHI
InChI=1S/C8H17NO/c1-9-5-2-3-8(7-9)4-6-10/h8,10H,2-7H2,1H3
InChIKey
PLZATTBQOOIXMS-UHFFFAOYSA-N
Smiles
CN1CCCC(C1)CCO
Isomeric SMILES
CN1CCCC(C1)CCO
Molecular Weight
143.23
Reaxy-Rn
104077
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=104077&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
143.230 g/mol
XLogP3
0.700
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
143.131 Da
Monoisotopic Mass
143.131 Da
Topological Polar Surface Area
23.500 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
95.300
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
Citations of This Product
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1 Citations