Prodipine , CAS No.31314-38-2

CAS: 31314-38-2 Cat. No.: P667932 Summenformel: C₂₀H₂₅N Molekulargewicht: 279.4

Synonyms

Prodipine|Prodipine [INN]|1-Isopropyl-4,4-diphenylpiperidine|Prodipinum|Prodipin|Prodipina|Prodipinum [INN-Latin]|Prodipina [INN-Spanish]|4,4-diphenyl-1-propan-2-ylpiperidine|PRODIPINE [MI]|1-i-propyl-4,4-diphenylpiperidine|1-Isopropyl-4,4-diphenyl-piperidine (prodipine)

Storage

Room temperature

Spezifikationen

Synonyme

Prodipine | Prodipine [INN] | 1-Isopropyl-4,4-diphenylpiperidine | Prodipinum | Prodipin | Prodipina | Prodipinum [INN-Latin] | Prodipina [INN-Spanish] | 4,4-diphenyl-1-propan-2-ylpiperidine | PRODIPINE [MI] | 1-i-propyl-4,4-diphenylpiperidine | 1-Isopropyl-4,4-diphenyl-piperidine (prodipine)

Storage

Room temperature

Produkteigenschaften

ALogP

5

Namen und Kennungen

Kanonisches Lächeln

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

Isomere SMILES

CC(C)N1CCC(CC1)(C2=CC=CC=C2)C3=CC=CC=C3

Molekulargewicht

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
    • Klasse Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (menschlich)

CYP2D6 Tclin Cytochrome P450 2D6 (1 Activities)

Discover Target: CYP2D6

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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

Häufig gestellte Fragen

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.