3-Piperidinemethanol - ≥98%(GC) , CAS No.4606-65-9

CAS: 4606-65-9 Cat. No.: P160105 Molecular Weight: 115.18 Beilstein Registry Number: 21(3/4)71 EC Number: 225-013-0 PubChem CID: 107308

GRADE & PURITY ≥98%(GC)

Synonyms

J-502110 | 3-Piperidinemethanol | FT-0649811 | InChI=1/C8H8O3/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11 | Q-102742 | AM100839 | KBio2_004024 | racemic 3-piperidinemethanol | 3-Piperidine Methanol | rac-3-hydroxymethylpiperidine | rac-3-hydroxymethyl

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Application Reactant for synthesis of: CB2 receptor agonists for the treatment of chronic pain Spiroimidazolidinone NPC1L1 inhibitors Quorum sensing modulators Protein lysine methyltransferase G9a inhibitors P2Y12 antagonists for inhibition of platelet aggregation Soluble epoxide hydrolase inhibitors

Specifications

Synonyms

J-502110 | 3-Piperidinemethanol | FT-0649811 | InChI=1/C8H8O3/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4, 9H, 5H2, (H, 10, 11 | Q-102742 | AM100839 | KBio2_004024 | racemic 3-piperidinemethanol | 3-Piperidine Methanol | rac-3-hydroxymethylpiperidine | rac-3-hydroxymethyl

Specifications & Purity

≥98%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488187402
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187402
• Canonical Smiles: C1CC(CNC1)CO
• IUPAC Name: piperidin-3-ylmethanol
• InChIKey: VUNPWIPIOOMCPT-UHFFFAOYSA-N
• INCHI: 1S/C6H13NO/c8-5-6-2-1-3-7-4-6/h6-8H,1-5H2
• Isomeric SMILES: C1CC(CNC1)CO
• WGK Germany: 2
• PubChem CID: 107308
• Molecular Weight: 115.18
• Beilstein: 21(3/4)71
• Reaxy-Rn: 103058

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: 1,3-aminoalcohols Dialkylamines Azacyclic compounds Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidine - 1,3-aminoalcohol - Azacycle - Secondary amine - Secondary aliphatic amine - 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in water
• Sensitivity: Moisture sensitive.
• Refractive Index: 1.494
• Flash Point(°F): >235.4 °F
• Flash Point(°C): >113 °C
• Boil Point(°C): 236°C
• Melt Point(°C): 58-62°C
• Molecular Weight: 115.170 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 115.1 Da
• Monoisotopic Mass: 115.1 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 65.500
• 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