((3S,4R)-4-(4-Fluorophenyl)piperidin-3-yl)methanol - ≥95% , CAS No.125224-43-3

CAS: 125224-43-3 Cat. No.: S190305 Molecular Weight: 209.26 PubChem CID: 9855829

GRADE & PURITY ≥95%

Synonyms

(3S,4R)-4-(4-FLUOROPHENYL)PIPERIDINE-3-METHANOL | MFCD03839854 | (-)-(3S,4R)-4-(4-fluorophenyl)-3-hydroxymethylpiperidine | AMY41418 | trans-4-(4'-Fluorophenyl)-3-(hydroxymethyl)-piperidine, AldrichCPR | A805359 | DTXSID30925050 | MFCD03839921 | VS-08651

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

(3S, 4R)-4-(4-FLUOROPHENYL)PIPERIDINE-3-METHANOL | MFCD03839854 | (-)-(3S, 4R)-4-(4-fluorophenyl)-3-hydroxymethylpiperidine | AMY41418 | trans-4-(4'-Fluorophenyl)-3-(hydroxymethyl)-piperidine, AldrichCPR | A805359 | DTXSID30925050 | MFCD03839921 | VS-08651

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1CNCC(C1C2=CC=C(C=C2)F)CO
• IUPAC Name: [(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methanol
• InChIKey: IBOPBHBOBJYXTD-JQWIXIFHSA-N
• INCHI: 1S/C12H16FNO/c13-11-3-1-9(2-4-11)12-5-6-14-7-10(12)8-15/h1-4,10,12,14-15H,5-8H2/t10-,12-/m0/s1
• Isomeric SMILES: C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)CO
• PubChem CID: 9855829
• Molecular Weight: 209.26

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Phenylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperidines
• Alternative Parents: Fluorobenzenes Aralkylamines Aryl fluorides 1,3-aminoalcohols Dialkylamines Azacyclic compounds Primary alcohols Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperidine - Aralkylamine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - 1,3-aminoalcohol - Azacycle - Secondary aliphatic amine - Secondary amine - Organohalogen compound - Primary alcohol - Amine - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.
• 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

• Molecular Weight: 209.260 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 209.122 Da
• Monoisotopic Mass: 209.122 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 192.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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