Name: 2-(1-methylpiperidin-3-yl)ethan-1-ol - ≥97% , CAS No.101257-32-3
Brand: Aladdin Scientific
SKU: M171650
Availability: InStock

Taxonomic Classification

Taxonomy Tree

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
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. DOI: 10.1186/s13321-016-0174-y

3D Structure

Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical 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 Å²
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

References

1. Yunjun Liu, Liyuan Ma, Qian Zhang, Yixiang Liu, Dan Li. (2024) Construction of fatty acid-ovalbumin binary complexes to improve the water dispersibility, thermal/digestive stability and bioaccessibility of lutein: A comparative study of different fatty acids. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, [PMID:38852735] [10.1016/j.ijbiomac.2024.133010]

Solution Calculators

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Reviews

Canonical Smiles	CN1CCCC(C1)CCO
IUPAC Name	2-(1-methylpiperidin-3-yl)ethanol
InChIKey	PLZATTBQOOIXMS-UHFFFAOYSA-N
INCHI	1S/C8H17NO/c1-9-5-2-3-8(7-9)4-6-10/h8,10H,2-7H2,1H3
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=

2-(1-methylpiperidin-3-yl)ethan-1-ol - ≥97% , CAS No.101257-32-3

Specifications