4-(3-Chlorophenyl)piperidine hydrochloride - ≥97% , CAS No.99329-70-1

CAS: 99329-70-1 Cat. No.: C196157 Molecular Weight: 232.15 EC Number: 675-876-6

GRADE & PURITY ≥97%

Synonyms

Piperidine, 4-(3-chlorophenyl)-, hydrochloride | SCHEMBL1458622 | AC-30092 | 4-(3-Chlorophenyl)piperidine, HCl | FT-0649706 | 4-(3-Chlorophenyl)piperidine hydrochloride | 4-(3-chloro-phenyl)-piperidine hydrochloride | SY057624 | 4-(3-chloro-phenyl)-piperi

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

Piperidine, 4-(3-chlorophenyl)-, hydrochloride | SCHEMBL1458622 | AC-30092 | 4-(3-Chlorophenyl)piperidine, HCl | FT-0649706 | 4-(3-Chlorophenyl)piperidine hydrochloride | 4-(3-chloro-phenyl)-piperidine hydrochloride | SY057624 | 4-(3-chloro-phenyl)-piperi

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

• Pubchem Sid: 504770499
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770499
• Canonical Smiles: C1CNCCC1C2=CC(=CC=C2)Cl.Cl
• IUPAC Name: 4-(3-chlorophenyl)piperidine;hydrochloride
• InChIKey: SAXMEDYZBPHVLK-UHFFFAOYSA-N
• INCHI: 1S/C11H14ClN.ClH/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9;/h1-3,8-9,13H,4-7H2;1H
• Isomeric SMILES: C1CNCCC1C2=CC(=CC=C2)Cl.Cl
• Alternate CAS: 99329-53-0
• Molecular Weight: 232.15

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: Chlorobenzenes Aralkylamines Aryl chlorides Dialkylamines Azacyclic compounds Organochlorides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperidine - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Secondary aliphatic amine - Azacycle - Secondary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Hydrochloride - 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: 232.150 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 231.058 Da
• Monoisotopic Mass: 231.058 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 154.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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: 2

XLogP3