2-isopropoxy-5-methyl-4-(4-piperidyl)aniline;dihydrochloride - ≥97% , CAS No.1380575-45-0

CAS: 1380575-45-0 Cat. No.: I628775 Molecular Weight: 321.3 EC Number: 808-262-5 PubChem CID: 91754557

GRADE & PURITY ≥97%

Synonyms

2-isopropoxy-5-methyl-4-(piperidin-4-yl)aniline dihydrochloride | 5-methyl-4-piperidin-4-yl-2-propan-2-yloxyaniline;dihydrochloride | 2-isopropoxy-5-methyl-4-(piperidin-4-yl)anilinedihydrochloride | DS-19191 | MFCD28387189 | A886317 | Benzenamine, 5-methy

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

2-isopropoxy-5-methyl-4-(piperidin-4-yl)aniline dihydrochloride | 5-methyl-4-piperidin-4-yl-2-propan-2-yloxyaniline;dihydrochloride | 2-isopropoxy-5-methyl-4-(piperidin-4-yl)anilinedihydrochloride | DS-19191 | MFCD28387189 | A886317 | Benzenamine, 5-methy

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: CC1=CC(=C(C=C1C2CCNCC2)OC(C)C)N.Cl.Cl
• IUPAC Name: 5-methyl-4-piperidin-4-yl-2-propan-2-yloxyaniline;dihydrochloride
• InChIKey: GRRXEYVKIONDRW-UHFFFAOYSA-N
• INCHI: 1S/C15H24N2O.2ClH/c1-10(2)18-15-9-13(11(3)8-14(15)16)12-4-6-17-7-5-12;;/h8-10,12,17H,4-7,16H2,1-3H3;2*1H
• Isomeric SMILES: CC1=CC(=C(C=C1C2CCNCC2)OC(C)C)N.Cl.Cl
• Alternate CAS: 1380575-45-0
• PubChem CID: 91754557
• Molecular Weight: 321.3

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: Aminophenyl ethers Phenoxy compounds Aniline and substituted anilines Aminotoluenes Aralkylamines Alkyl aryl ethers Dialkylamines Azacyclic compounds Primary amines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperidine - Aminophenyl ether - Phenoxy compound - Phenol ether - Aminotoluene - Aniline or substituted anilines - Alkyl aryl ether - Toluene - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Secondary aliphatic amine - Ether - Azacycle - Secondary amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Primary amine - Organic oxygen compound - 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: 321.300 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 320.142 Da
• Monoisotopic Mass: 320.142 Da
• Topological Polar Surface Area: 47.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 251.000
• 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: 3

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