Prodipine , CAS No.31314-38-2

CAS: 31314-38-2 Cat. No.: P667932 分子式: C₂₀H₂₅N 分子量: 279.4

Synonyms

Prodipine | Prodipine [INN] | 1-Isopropyl-4,4-diphenylpiperidine | 51567MYG7V | Prodipinum | Prodipin | Prodipina | Prodipinum [INN-Latin] | Prodipina [INN-Spanish] | 4,4-diphenyl-1-propan-2-ylpiperidine | UNII-51567MYG7V | PRODIPINE [MI] | DTXSID20185247

Storage

Room temperature

Specifications

同義語

Prodipine | Prodipine [INN] | 1-Isopropyl-4,4-diphenylpiperidine | 51567MYG7V | Prodipinum | Prodipin | Prodipina | Prodipinum [INN-Latin] | Prodipina [INN-Spanish] | 4,4-diphenyl-1-propan-2-ylpiperidine | UNII-51567MYG7V | PRODIPINE [MI] | DTXSID20185247

保管条件

Room temperature

製品の性質

• ALogP: 5

名前と識別子

• カノニカル・スマイル: CC(C)N1CCC(CC1)(C2=CC=CC=C2)C3=CC=CC=C3
• IUPAC Name: 4,4-diphenyl-1-propan-2-ylpiperidine
• InChIKey: CFOOTBBXHJHHMT-UHFFFAOYSA-N
• INCHI: 1S/C20H25N/c1-17(2)21-15-13-20(14-16-21,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17H,13-16H2,1-2H3
• 異性体SMILES: CC(C)N1CCC(CC1)(C2=CC=CC=C2)C3=CC=CC=C3
• 分子量: 279.4
• Reaxy-Rn: 1686079
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1686079&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Phenylpiperidines Aralkylamines Trialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylmethane - Phenylpiperidine - Aralkylamine - Piperidine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

関連ターゲット（人間）

CYP2D6 Tclin Cytochrome P450 2D6 (1 Activities)

Discover Target: CYP2D6

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

作用メカニズム

化学的性質と物理的性質

• 分子量: 279.400 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 279.199 Da
• Monoisotopic Mass: 279.199 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 282.000
• 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: 1

よくある質問

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 31314-38-2, the molecular formula is C20H25N, and the molecular weight is 279.4 g/mol. InChIKey CFOOTBBXHJHHMT-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.