1-Cyclohexylpiperazine - ≥98%(GC) , CAS No.17766-28-8

CAS: 17766-28-8 Cat. No.: C154002 Molecular Weight: 168.28 Beilstein Registry Number: 106845 EC Number: 241-750-0

GRADE & PURITY ≥98%(GC)

Synonyms

FT-0637601 | 2-Amino-3-chloro-5-trifluoropyridine | SCHEMBL43171 | Oprea1_321928 | C1783 | SCHEMBL6477287 | 1-cyclohexyl piperazine | N-cyclohexylpiperazine | 1-Cyclohexylpiperazine | 1-cyclohexyl'piperazine | 1-Cyclohexyl-piperazine | BDBM50299720 | SB17

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

FT-0637601 | 2-Amino-3-chloro-5-trifluoropyridine | SCHEMBL43171 | Oprea1_321928 | C1783 | SCHEMBL6477287 | 1-cyclohexyl piperazine | N-cyclohexylpiperazine | 1-Cyclohexylpiperazine | 1-cyclohexyl'piperazine | 1-Cyclohexyl-piperazine | BDBM50299720 | SB17

Specifications & Purity

≥98%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488186412
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186412
• Canonical Smiles: C1CCC(CC1)N2CCNCC2
• IUPAC Name: 1-cyclohexylpiperazine
• InChIKey: XPDSXKIDJNKIQY-UHFFFAOYSA-N
• INCHI: 1S/C10H20N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h10-11H,1-9H2
• Isomeric SMILES: C1CCC(CC1)N2CCNCC2
• WGK Germany: 3
• Molecular Weight: 168.28
• Beilstein: 106845
• Reaxy-Rn: 106845
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=106845&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-alkylpiperazines
• Alternative Parents: Cyclohexylamines Trialkylamines Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: N-alkylpiperazine - Cyclohexylamine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-alkylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an alkyl 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

Associated Targets(Human)

EBP Tchem 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase (102 Activities)

Discover Target: EBP

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Sensitivity: Air sensitive
• Melt Point(°C): 32-37°C
• Molecular Weight: 168.280 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 168.163 Da
• Monoisotopic Mass: 168.163 Da
• Topological Polar Surface Area: 15.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 124.000
• 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

References

1. Chao Ma, Xiaona Liu, Yang Hong, Nana Yan, Chenyang Nie, Jing Wang, Peng Guo, Zhongmin Liu.  (2023)  Fluoride- and Seed-Free Synthesis of Pure-Silica Zeolite Adsorbent and Matrix Using OSDA-Mismatch Approach.  Journal of the American Chemical Society,      [PMID:37877469] [10.1021/jacs.3c08484]