1-(4-Pyridyl)piperazine - CAS 1008-91-9

Catalog:	BB000381
Product Name:	1-(4-Pyridyl)piperazine
CAS:	1008-91-9
Synonyms:	1-pyridin-4-ylpiperazine

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1-pyridin-4-ylpiperazine
Description:	1-(4-Pyridyl)piperazine (CAS# 1008-91-9) is a useful research chemical.
Molecular Weight:	163.22
Molecular Formula:	C9H13N3
Canonical SMILES:	C1CN(CCN1)C2=CC=NC=C2
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
Boiling Point:	195-200 °C / 0.3 mmHg, 314.4 °C at 760 mmHg
Melting Point:	137-141 °C
Purity:	95 %
Density:	1.081 g/cm³
Appearance:	Gray power
MDL:	MFCD00040745
LogP:	0.88500

Publication Number	Title	Priority Date
CN-113307737-A	Class II histocompatibility complex expression enhancing compound, preparation method and application thereof	20210520
CN-113214342-A	23-hydroxy betulinic acid 3-site modified derivative, preparation method and application	20210506
CN-113200912-A	Method for synthesizing cyanamide	20210413
CN-113024592-A	Synthetic method of azetidine silicon precursor compound and method for synthesizing six-membered silicon nitrogen heterocyclic compound by using same	20210319
CN-112981382-A	Electroless copper plating solution and application thereof	20210220

PMID	Publication Date	Title	Journal
24454993	20131010	Discovery of β2 Adrenergic Receptor Ligands Using Biosensor Fragment Screening of Tagged Wild-Type Receptor	ACS medicinal chemistry letters
21615150	20110714	Progress in structure based drug design for G protein-coupled receptors	Journal of medicinal chemistry
21290451	20110315	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
19890942	20100101	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
19299128	20090415	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

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Related Functional Groups

Piperazines

[25629-32-7]
(3-Oxopiperazin-1-yl)acetic acid
[55276-43-2]
1-Methanesulfonylpiperazine
[120-43-4]
Ethyl 1-piperazinecarboxylate
[2171065-77-1]
N1-(2-(4-(4-chloro-2-fluorophenyl)piperazin-1-yl)phenyl)-N4,N4-dimethylbenzene-1,4-disulfonamide
[243128-46-3]
1-(4-Fluoro-2-nitrophenyl)piperazine
[27106-51-0]
1-(Toluene-4-sulfonyl)piperazine

Pyridines

[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1261365-99-4]
2,5-Dichloro-6-(hydroxymethyl)pyridin-3-ol
[1202402-53-6]
2-[6-(Bromomethyl)-2-pyridyl]-2-propanol
[4926-28-7]
2-Bromo-4-methylpyridine
[643762-61-2]
3-Bromo-2-(bromomethyl)-6-fluoropyridine
[1087659-19-5]
3-Methoxy-5-(phenylcarbamoyl)isonicotinic acid

GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	126
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	163.110947427
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	163.110947427
Rotatable Bond Count:	1
Topological Polar Surface Area:	28.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3