(R)-(-)-1-Benzyl-3-hydroxypiperidine - ≥97% , CAS No.91599-81-4

CAS: 91599-81-4 Cat. No.: R139437 Molecular Weight: 191.27 EC Number: 618-772-8

GRADE & PURITY ≥97%

Synonyms

(R)-1-N-Benzyl-3-hydroxy-piperidine | FS-2115 | MFCD00274307 | (3r)-1-benzylpiperidin-3-ol | (R)-(-)-1-Benzyl-3-hydroxypiperidine | (R)-(+)-1-Benzyl-3-hydroxypiperidine;(R)-1-benzylpiperidin-3-ol | SCHEMBL1787570 | AC-15326 | DS-1746 | DTXSID60351227 | R-

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

(R)-1-N-Benzyl-3-hydroxy-piperidine | FS-2115 | MFCD00274307 | (3r)-1-benzylpiperidin-3-ol | (R)-(-)-1-Benzyl-3-hydroxypiperidine | (R)-(+)-1-Benzyl-3-hydroxypiperidine;(R)-1-benzylpiperidin-3-ol | SCHEMBL1787570 | AC-15326 | DS-1746 | DTXSID60351227 | R-

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488191166
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191166
• Canonical Smiles: C1CC(CN(C1)CC2=CC=CC=C2)O
• IUPAC Name: (3R)-1-benzylpiperidin-3-ol
• InChIKey: UTTCOAGPVHRUFO-GFCCVEGCSA-N
• INCHI: 1S/C12H17NO/c14-12-7-4-8-13(10-12)9-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2/t12-/m1/s1
• Isomeric SMILES: C1C[C@H](CN(C1)CC2=CC=CC=C2)O
• WGK Germany: 3
• Molecular Weight: 191.27
• Reaxy-Rn: 135964
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=135964&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Piperidines
      • Subclass Benzylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Benzylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-benzylpiperidines
• Alternative Parents: Phenylmethylamines Benzylamines Aralkylamines Trialkylamines Secondary alcohols 1,2-aminoalcohols Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-benzylpiperidine - Benzylamine - Phenylmethylamine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - 1,2-aminoalcohol - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alcohol - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
• 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

• Sensitivity: Air sensitive
• Refractive Index: 1.55
• Specific Rotation[α]: -11° (C=1,MeOH)
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 102 °C/0.4 mmHg
• Molecular Weight: 191.270 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 191.131 Da
• Monoisotopic Mass: 191.131 Da
• Topological Polar Surface Area: 23.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 166.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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