CAS 1008-91-9 | Piperazine, 1-(4-pyridinyl)- | CAS Number 1008-91-9

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1008-91-9 | Piperazine, 1-(4-pyridinyl)-

CAS No: 1008-91-9 Catalog No: AG0002X8 MDL No:MFCD00040745

Product Description

Catalog Number:

AG0002X8

Chemical Name:

Piperazine, 1-(4-pyridinyl)-

CAS Number:

1008-91-9

Molecular Formula:

C9H13N3

Molecular Weight:

163.2196

MDL Number:

MFCD00040745

IUPAC Name:

1-pyridin-4-ylpiperazine

InChI:

InChI=1S/C9H13N3/c1-3-10-4-2-9(1)12-7-5-11-6-8-12/h1-4,11H,5-8H2

InChI Key:

OQZBAQXTXNIPRA-UHFFFAOYSA-N

SMILES:

N1CCN(CC1)c1ccncc1

EC Number:

213-764-7

Properties

Complexity:

126

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

163.111g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

163.224g/mol

Monoisotopic Mass:

163.111g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

28.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3

Literature

Title	Journal
Discovery of β2 Adrenergic Receptor Ligands Using Biosensor Fragment Screening of Tagged Wild-Type Receptor.	ACS medicinal chemistry letters 20131010
Progress in structure based drug design for G protein-coupled receptors.	Journal of medicinal chemistry 20110714
Piperazines for peptide carboxyl group derivatization: effect of derivatization reagents and properties of peptides on signal enhancement in matrix-assisted laser desorption/ionization mass spectrometry.	Rapid communications in mass spectrometry : RCM 20110315
Complete experimental and theoretical proton and carbon nuclear magnetic resonance spectral assignments, molecular structure and conformational study of 1-cyclohexylpiperazine and 1-(4-pyridyl)piperazine.	Magnetic resonance in chemistry : MRC 20100101
Design and synthesis of isoform-selective phospholipase D (PLD) inhibitors. Part II. Identification of the 1,3,8-triazaspiro[4,5]decan-4-one privileged structure that engenders PLD2 selectivity.	Bioorganic & medicinal chemistry letters 20090415
Structure-affinity relationships of a unique nicotinic ligand: N(1)-dimethyl-N(4)-phenylpiperazinium iodide (DMPP).	Journal of medicinal chemistry 20011108