Home > Compound List > Compound details
34803-66-2 molecular structure
click picture or here to close

1-(pyridin-2-yl)piperazine

ChemBase ID: 91267
Molecular Formular: C9H13N3
Molecular Mass: 163.21962
Monoisotopic Mass: 163.11094743
SMILES and InChIs

SMILES:
N1(c2ccccn2)CCNCC1
Canonical SMILES:
N1CCN(CC1)c1ccccn1
InChI:
InChI=1S/C9H13N3/c1-2-4-11-9(3-1)12-7-5-10-6-8-12/h1-4,10H,5-8H2
InChIKey:
GZRKXKUVVPSREJ-UHFFFAOYSA-N

Cite this record

CBID:91267 http://www.chembase.cn/molecule-91267.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(pyridin-2-yl)piperazine
IUPAC Traditional name
pyridinylpiperazine
Synonyms
2-Piperazinopyridine
1-(2-Pyridyl)piperazine
Pyridinylpiperazine
2-(Piperazin-1-yl)pyridine
1-(Pyridin-2-yl)piperazine 98%
2-(1-Piperazinyl)pyridine
1-(Pyridin-2-yl)piperazine
2-Pyridylpiperazine
4-(2-Pyridinyl)piperazine
4-(2-Pyridyl)piperazine
N-(2-Pyridyl)piperazine
N-Pyridin-2-ylpiperazine
NSC 137781
NSC 26624
1-(2-Pyridyl)piperazine
1-pyridin-2-ylpiperazine
1-(Pyridin-2-yl)piperazine
2-哌嗪吡啶
1-(2-吡啶基)哌嗪
CAS Number
34803-66-2
129394-11-2
EC Number
252-220-3
MDL Number
MFCD00006216
Beilstein Number
140423
PubChem SID
24849108
162077971
24865508
PubChem CID
94459
CHEMBL
18094
Chemspider ID
85244
Wikipedia Title
Pyridinylpiperazine

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.0973194  LogD (pH = 7.4) -0.48023257 
Log P 0.92214644  Molar Refractivity 49.3986 cm3
Polarizability 18.734665 Å3 Polar Surface Area 28.16 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Methanol expand Show data source
Apperance
Clear Colourless Oil expand Show data source
Boiling Point
120-122 °C/2 mmHg(lit.) expand Show data source
120-122°C/2mm expand Show data source
120-122°C/2mm expand Show data source
Flash Point
>110°C expand Show data source
>110°C(230°F) expand Show data source
110 °C expand Show data source
230 °F expand Show data source
Density
1.072 expand Show data source
1.072 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.595 expand Show data source
1.5950 expand Show data source
n20/D 1.595(lit.) expand Show data source
Storage Condition
-20°C Freezer expand Show data source
Storage Warning
Air Sensitive expand Show data source
Irritant/Air Sensitive/Store under Argon expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
UN2735 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
III expand Show data source
Risk Statements
34 expand Show data source
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H314-H318 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand Show data source
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
≥99.5% expand Show data source
98% expand Show data source
99% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C9H13N3 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - 151270 external link
Packaging
5, 25 g in glass bottle
Sigma Aldrich - 408166 external link
Packaging
5, 25 mL in glass bottle
Toronto Research Chemicals - P995725 external link
1-(2-Pyridyl)piperazine is a compound that belongs to a class of selective α2-adrenoceptor antagonists. 1-(2-Pyridyl)piperazine shows sympatholytic activity. 1-(2-Pyridyl)piperazine is also a metabolite of Azaperone (A802200).

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Saari, W.S. et al.: J. Med. Chem., 26, 1696 (1983)
  • • Caccia, S. et al.: J. Chrom., 283, 211 (1983)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle