Pyridinylpiperazine

C9H13N3CAS 34803-66-2163.22 g/mol

Open in Covalent MOL file
NNHN
Secondary amineTertiary amine

Properties

Molecular formula
C9H13N3
Molar mass
163.22 g/mol
Exact mass
163.1109 Da
Density
1.07 g/mL
Melting point
135–137 °C
Boiling point
120–122 °C
pKa
8.9
logP
0.49Crippen estimate
Polar surface area
28.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number
34803-66-2
SMILES
c1ccc(N2CCNCC2)nc1
InChIKey
GZRKXKUVVPSREJ-UHFFFAOYSA-N
InChI
InChI=1S/C9H13N3/c1-2-4-11-9(3-1)12-7-5-10-6-8-12/h1-4,10H,5-8H2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

13 names · show all
  • Piperazine, 1-(2-pyridinyl)-
  • Piperazine, 1-(2-pyridyl)-
  • 1-(2-Pyridinyl)piperazine
  • 1-(2-Pyridyl)piperazine
  • N-(2-Pyridyl)piperazine
  • 4-(2-Pyridyl)piperazine
  • 2-Pyridylpiperazine
  • 4-(2-Pyridinyl)piperazine
  • N-Pyridin-2-ylpiperazine
  • NSC 137781
  • NSC 26624
  • 1-(Pyridin-2-yl)piperazine
  • 2-(Piperazin-1-yl)pyridine

Work with Pyridinylpiperazine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1-(2-Pyridyl)piperazine monohydrochloride129394-11-2Salt

Similar compounds

Pyrimidinylpiperazine20980-22-757 % similar 1-Piperazinylpyrazine34803-68-456 % similar 1-(4-Methyl-2-pyridinyl)piperazine34803-67-354 % similar 1-Pyridin-2-ylmethyl-piperazine55579-01-653 % similar 6-Piperazinonicotinonitrile149554-29-053 % similar 2-(1-Piperazinyl)pyrimidine dihydrochloride94021-22-452 % similar 1-(2-Pyridin-2-yl-ethyl)-piperazine53345-15-651 % similar 2-Piperazinonicotinonitrile84951-44-051 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(4-Pyridyl)piperazine1008-91-9 2E4Mz-cn23996-25-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia