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

CAS: 1334700-32-1 Cat. No.: B628318 Molecular Weight: 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

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

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: C1CN(C[C@H]([C@@H]1NCC2=CC=CC=C2)O)CC3=CC=CC=C3
• PubChem CID: 13677854
• Molecular Weight: 296.41

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 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
• 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

• Molecular Weight: 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