4-[(3R)-1-tert-butoxycarbonyl-3-piperidyl]benzoic acid - ≥97% , CAS No.1217749-88-6

CAS: 1217749-88-6 Cat. No.: B627479 Molecular Weight: 305.37 PubChem CID: 45074285

GRADE & PURITY ≥97%

Synonyms

1217749-88-6 | (R)-4-(1-(tert-Butoxycarbonyl)piperidin-3-yl)benzoic acid | 1-Piperidinecarboxylic acid, 3-(4-carboxyphenyl)-, 1-(1,1-dimethylethyl) ester, (3R)- | F90032 | 4-[(3R)-1-TERT-BUTOXYCARBONYL-3-PIPERIDYL]BENZOIC ACID

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1217749-88-6 | (R)-4-(1-(tert-Butoxycarbonyl)piperidin-3-yl)benzoic acid | 1-Piperidinecarboxylic acid, 3-(4-carboxyphenyl)-, 1-(1, 1-dimethylethyl) ester, (3R)- | F90032 | 4-[(3R)-1-TERT-BUTOXYCARBONYL-3-PIPERIDYL]BENZOIC ACID

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(=O)N1CCCC(C1)C2=CC=C(C=C2)C(=O)O
• IUPAC Name: 4-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]benzoic acid
• InChIKey: KRTMMQOFFHMEON-AWEZNQCLSA-N
• INCHI: 1S/C17H23NO4/c1-17(2,3)22-16(21)18-10-4-5-14(11-18)12-6-8-13(9-7-12)15(19)20/h6-9,14H,4-5,10-11H2,1-3H3,(H,19,20)/t14-/m0/s1
• PubChem CID: 45074285
• Molecular Weight: 305.37

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: Piperidinecarboxylic acids Benzoic acids Benzoyl derivatives Carbamate esters Tertiary amines Amino acids Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperidine - Benzoic acid or derivatives - Benzoic acid - Piperidinecarboxylic acid - Benzoyl - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Tertiary amine - Amino acid - Amino acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - 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