1-(4-Pyridyl)piperazine

C9H13N3CAS 1008-91-9163.22 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
Melting point
140 °C
logP
0.49Crippen estimate
Polar surface area
28.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
1008-91-9
SMILES
c1cc(N2CCNCC2)ccn1
InChIKey
OQZBAQXTXNIPRA-UHFFFAOYSA-N
InChI
InChI=1S/C9H13N3/c1-3-10-4-2-9(1)12-7-5-11-6-8-12/h1-4,11H,5-8H2

Weigh it out

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

Names and synonyms

8 names
  • Piperazine, 1-(4-pyridinyl)-
  • Piperazine, 1-(4-pyridyl)-
  • 1-(4-Pyridinyl)piperazine
  • N-(4-Pyridyl)piperazine
  • N-(Pyridin-4-yl)piperazine
  • 4-(Pyridin-4-yl)piperazine
  • 4-(4-Pyridyl)piperazine
  • 1-(Pyridin-4-yl)piperazine

Work with 1-(4-Pyridyl)piperazine

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Pyrrolidinylpyridine2456-81-764 % similar Phenylpiperazine92-54-662 % similar 1-(4-Chlorophenyl)piperazine38212-33-857 % similar 1-Phenylpiperazine hydrochloride2210-93-755 % similar 1-(4-Fluorophenyl)piperazine2252-63-355 % similar 1-(p-Tolyl)piperazine39593-08-355 % similar p-(1-Piperazinyl)phenol56621-48-855 % similar 1-(4-Bromophenyl)piperazine66698-28-055 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2E4Mz-cn23996-25-0 Pyridinylpiperazine34803-66-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook