4-Piperidin-4-yl-benzoic acid methyl ester hydrochloride - ≥95% , CAS No.936130-82-4

CAS: 936130-82-4 Cat. No.: P356571 Molecular Weight: 255.75 EC Number: 847-225-8

GRADE & PURITY ≥95%

Synonyms

METHYL 4-PIPERIDIN-4-YL-BENZATE HCL | EN300-234922 | Methyl 4-(4-piperidyl)benzoate hydrochloride | methyl 4-piperidin-4-ylbenzoate;hydrochloride | A922458 | AS-30835 | SB40077 | methyl 4-piperidin-4-ylbenzoate hydrochloride | DTXSID20655172 | Methyl 4-(p

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

4-Piperidin-4-yl-benzoic acid methyl ester hydrochloride is a biochemical for proteomics research.

Specifications

Synonyms

METHYL 4-PIPERIDIN-4-YL-BENZATE HCL | EN300-234922 | Methyl 4-(4-piperidyl)benzoate hydrochloride | methyl 4-piperidin-4-ylbenzoate;hydrochloride | A922458 | AS-30835 | SB40077 | methyl 4-piperidin-4-ylbenzoate hydrochloride | DTXSID20655172 | Methyl 4-(p

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

• Pubchem Sid: 504770195
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770195
• Canonical Smiles: COC(=O)C1=CC=C(C=C1)C2CCNCC2.Cl
• IUPAC Name: methyl 4-piperidin-4-ylbenzoate;hydrochloride
• InChIKey: RBOHZKFJKGYRPA-UHFFFAOYSA-N
• INCHI: 1S/C13H17NO2.ClH/c1-16-13(15)12-4-2-10(3-5-12)11-6-8-14-9-7-11;/h2-5,11,14H,6-9H2,1H3;1H
• Isomeric SMILES: COC(=O)C1=CC=C(C=C1)C2CCNCC2.Cl
• Alternate CAS: 281235-04-9
• Molecular Weight: 255.75

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: Benzoic acid esters Benzoyl derivatives Aralkylamines Methyl esters Amino acids and derivatives Dialkylamines Azacyclic compounds Organooxygen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperidine - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Secondary amine - Secondary aliphatic amine - Hydrochloride - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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

• Refractive Index: n20D~1.52 (Predicted)
• Molecular Weight: 255.740 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 255.103 Da
• Monoisotopic Mass: 255.103 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 228.000
• 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

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