4-Methylpiperidine - ≥98%(GC) , CAS No.626-58-4

CAS: 626-58-4 Cat. No.: M158650 Formula: C₆H₁₃N Molecular Weight: 99.18 Beilstein Registry Number: 1083 EC Number: 210-954-1

GRADE & PURITY ≥98%(GC)

Synonyms

4-methylpyperidine | 4-methyl piperidine | 4-Pipecoline | NSC 66495 | Q-101897 | 4-(methyl)piperidine | DTXSID8060820 | Piperidine, 4-methyl- | J-512924 | 1219798-85-2 | FT-0619420 | P0445 | PS-9331 | EV6HN6HDP8 | gamma-Pipecoline | 4-Methylpiperidine--d4

Storage

Room temperature,Argon charged,Desiccated

Shipped In

FedEx DG Service

Overview

4-Methylpiperidine can be used to synthesize the following bioactive compounds: · dimethyl bis(4-methylpiperidine-dithiocarbamato-S,S′)-tin(IV) · (E)-4-(4′-methylpiperidino-N-alkoxy) stilbenes · 4-methylpiperidinoalkylthio and 4-methylpiperidinoalkoxy derivatives of (E)-chalcone It can also act as a deprotecting reagent for the removal of Fmoc group from amino acids during solid-phase peptide synthesis.

Specifications

Synonyms

4-methylpyperidine | 4-methyl piperidine | 4-Pipecoline | NSC 66495 | Q-101897 | 4-(methyl)piperidine | DTXSID8060820 | Piperidine, 4-methyl- | J-512924 | 1219798-85-2 | FT-0619420 | P0445 | PS-9331 | EV6HN6HDP8 | gamma-Pipecoline | 4-Methylpiperidine--d4

Specifications & Purity

≥98%(GC)

Storage

Room temperature,Argon charged,Desiccated

Shipped In

FedEx DG Service

Purity

≥98%(GC)

Names and Identifiers

Pubchem Sid

488184308

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184308

Canonical Smiles

CC1CCNCC1

IUPAC Name

4-methylpiperidine

InChIKey

UZOFELREXGAFOI-UHFFFAOYSA-N

INCHI

1S/C6H13N/c1-6-2-4-7-5-3-6/h6-7H,2-5H2,1H3

Isomeric SMILES

CC1CCNCC1

WGK Germany

3

Molecular Weight

99.18

Beilstein

1083

Reaxy-Rn

1083

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1083&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: Soluble in water, and chloroform.
• Sensitivity: Air sensitive
• Refractive Index: n20/D 1.446
• Flash Point(°F): 55.4 °F
• Flash Point(°C): 9°C
• Boil Point(°C): 124 °C
• 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: 46.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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