1-Acetyl-4-methylpiperazine - CAS 60787-05-5
Catalog: |
BB030809 |
Product Name: |
1-Acetyl-4-methylpiperazine |
CAS: |
60787-05-5 |
Synonyms: |
1-(4-methyl-1-piperazinyl)ethanone; 1-(4-methylpiperazin-1-yl)ethanone |
IUPAC Name: | 1-(4-methylpiperazin-1-yl)ethanone |
Description: | 1-Acetyl-4-methylpiperazine (CAS# 60787-05-5) is an AChR agonist acetylcholine analog. |
Molecular Weight: | 142.20 |
Molecular Formula: | C7H14N2O |
Canonical SMILES: | CC(=O)N1CCN(CC1)C |
InChI: | InChI=1S/C7H14N2O/c1-7(10)9-5-3-8(2)4-6-9/h3-6H2,1-2H3 |
InChI Key: | YSDBJKNOEWSFGA-UHFFFAOYSA-N |
Boiling Point: | 241.4 °C at 760 mmHg |
Density: | 1.017 g/cm3 |
MDL: | MFCD00011850 |
LogP: | -0.34390 |
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PMID | Publication Date | Title | Journal |
19842660 | 20091210 | Exploring the importance of piperazine N-atoms for sigma(2) receptor affinity and activity in a series of analogs of 1-cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine (PB28) | Journal of medicinal chemistry |
Complexity: | 128 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 142.110613074 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 142.110613074 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 23.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.5 |
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