3-Methylpiperidine - ≥97%(GC)(T) , CAS No.626-56-2

CAS: 626-56-2 Cat. No.: M158771 Molecular Weight: 99.18 Beilstein Registry Number: 79807 EC Number: 210-953-6

GRADE & PURITY ≥97%(GC)(T)

Synonyms

NCGC00258431-01 | STR03044 | beta-Pipecoline | CAS-626-56-2 | MFCD00005994 | STL183255 | 3-[{4-[(e)-(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]propanenitrile | 3-Methylpiperidine, 99% | AMY5569 | Tox21_200877 | (+/-)-3-methylpiperidine | 3-M

Storage

Room temperature

Shipped In

FedEx DG Service

Overview

Reactant for synthesis of: . Phenylpropenamide derivatives for anti-hepatitis B virus activity . CB2 receptor agonists for treatment of chronic pain . Aurora kinase inhibitors . Spiroimidazolidinone NPC1L1 inhibitors . 1,3,5-Oxadiazinones . Selective serotonin 5-HT6 receptor antagonists

Specifications

Synonyms

NCGC00258431-01 | STR03044 | beta-Pipecoline | CAS-626-56-2 | MFCD00005994 | STL183255 | 3-[{4-[(e)-(2, 6-dichloro-4-nitrophenyl)diazenyl]phenyl}(ethyl)amino]propanenitrile | 3-Methylpiperidine, 99% | AMY5569 | Tox21_200877 | (+/-)-3-methylpiperidine | 3-M

Specifications & Purity

≥97%(GC)(T)

Storage

Room temperature

Shipped In

FedEx DG Service

Purity

≥97%(GC)(T)

Names and Identifiers

• Pubchem Sid: 488185677
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185677
• Canonical Smiles: CC1CCCNC1
• IUPAC Name: 3-methylpiperidine
• InChIKey: JEGMWWXJUXDNJN-UHFFFAOYSA-N
• INCHI: 1S/C6H13N/c1-6-3-2-4-7-5-6/h6-7H,2-5H2,1H3
• Isomeric SMILES: CC1CCCNC1
• WGK Germany: 3
• UN Number: 2920
• Packing Group: I
• Molecular Weight: 99.18
• Beilstein: 79807
• Reaxy-Rn: 79807
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=79807&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Piperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidines
• Alternative Parents: Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - 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.

DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Chemical and Physical Properties

• Solubility: It is soluble in water
• Sensitivity: light sensitive
• Refractive Index: 1.447
• Flash Point(°F): 46°F
• Flash Point(°C): 8℃
• Boil Point(°C): 125-126 °C/763 mmHg
• Melt Point(°C): -24℃
• Molecular Weight: 99.170 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 99.1048 Da
• Monoisotopic Mass: 99.1048 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 52.100
• 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

References

1. Zhang Huayushuo, Ma Qian, Gao Pan, Li Bolong, Yang Xiaoxia, Li Chao, Song Mingming, Hou Zhiwei, Jiang Xiaomei.  (2025)  Halogen (Cl, Br, I) tuning of 3-methylpiperidine bismuth halides for highly sensitive, low-dose, and stable X-ray detection.  JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS,  36  (36): (2307).  [PMID:] [10.1007/s10854-025-16356-9]