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

Technical Data

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:	28.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0