1-Pyridin-3-yl-piperazine Hydrochloride - CAS 1010133-97-7
Catalog: |
BB076617 |
Product Name: |
1-Pyridin-3-yl-piperazine Hydrochloride |
CAS: |
1010133-97-7 |
Synonyms: |
1-(3-Pyridinyl)piperazine Hydrochloride; 1-(3-Pyridyl)piperazine Hydrochloride; 1-(Pyridin-3-yl)piperazine Hydrochloride; 3-(Piperazin-4-yl)pyridine Hydrochloride; NSC 505538 Hydrochloride |
IUPAC Name: | 1-pyridin-3-ylpiperazinehydrochloride |
Description: | 1-Pyridin-3-yl-piperazine Hydrochloride is a reactant used in discovery of N-aryl Piperazines as selective mGluR5 potentiators. It was also used in the synthesis of piperazine-pyridazinone derivatives that have binding affinity toward α1-, α2-adrenergic and 5-HT1A receptors. |
Molecular Weight: | 163.22+(36.46) |
Molecular Formula: | C9H13N3·HCl |
Canonical SMILES: | C1CN(CCN1)C2=CN=CC=C2.Cl |
InChI: | InChI=1S/C9H13N3.ClH/c1-2-9(8-11-3-1)12-6-4-10-5-7-12/h1-3,8,10H,4-7H21H |
InChI Key: | CSLOFABHFDQSBB-UHFFFAOYSA-N |
References: | Betti, L., et al. Bioorg. Med. Chem., 14, 2828 (2006); Zhou, Y., et al. ACS Med. Chem. Lett., 1, 433 (2010). |
Complexity: | 132 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.0876252 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.0876252 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 28.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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