(3R,4R)-1-benzyl-4-(benzylamino)piperidin-3-ol - ≥97% , CAS No.1334700-32-1

CAS: 1334700-32-1 Cat. No.: B628318 Peso molecular: 296.41 PubChem CID: 13677854

GRADE & PURITY ≥97%

Synonyms

(3R,4R)-1-BENZYL-4-(BENZYLAMINO)PIPERIDIN-3-OL | 1334700-32-1 | rel-(3R,4R)-1-Benzyl-4-(benzylamino)piperidin-3-ol | 104860-37-9 | SCHEMBL2190644 | MFCD27922223 | BS-42945 | trans-1-benzyl-4-benzylaminopiperidin-3-ol | 1-Benzyl-4alpha-(benzylamino)piperid

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

(3R, 4R)-1-BENZYL-4-(BENZYLAMINO)PIPERIDIN-3-OL | 1334700-32-1 | rel-(3R, 4R)-1-Benzyl-4-(benzylamino)piperidin-3-ol | 104860-37-9 | SCHEMBL2190644 | MFCD27922223 | BS-42945 | trans-1-benzyl-4-benzylaminopiperidin-3-ol | 1-Benzyl-4alpha-(benzylamino)piperid

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1CN(CC(C1NCC2=CC=CC=C2)O)CC3=CC=CC=C3
• IUPAC Name: (3R,4R)-1-benzyl-4-(benzylamino)piperidin-3-ol
• InChIKey: HUVGDTRCZVNHGX-RTBURBONSA-N
• INCHI: 1S/C19H24N2O/c22-19-15-21(14-17-9-5-2-6-10-17)12-11-18(19)20-13-16-7-3-1-4-8-16/h1-10,18-20,22H,11-15H2/t18-,19-/m1/s1
• Isómeros SMILES: C1CN(C[C@H]([C@@H]1NCC2=CC=CC=C2)O)CC3=CC=CC=C3
• PubChem CID: 13677854
• Peso molecular: 296.41

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Piperidines
• Subclass: Benzylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-benzylpiperidines
• Alternative Parents: Phenylmethylamines Benzylamines Aralkylamines Aminopiperidines Trialkylamines Secondary alcohols 1,2-aminoalcohols Dialkylamines Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-benzylpiperidine - Benzylamine - Phenylmethylamine - 4-aminopiperidine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Secondary alcohol - 1,2-aminoalcohol - Tertiary aliphatic amine - Secondary amine - Azacycle - Secondary aliphatic amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Alcohol - Aromatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 296.400 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 296.189 Da
• Monoisotopic Mass: 296.189 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 311.000
• 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