1,1-Dimethyl-4-phenylpiperazinium iodide

C12H19IN2CAS 54-77-3318.20 g/mol

Open in Covalent MOL file
N+NI−
Quaternary ammoniumTertiary amine

Properties

Molecular formula
C12H19IN2
Molar mass
318.20 g/mol
Exact mass
318.0593 Da
logP
-1.41Crippen estimate
Polar surface area
3.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
54-77-3
SMILES
C[N+]1(C)CCN(c2ccccc2)CC1.[I-]
InChIKey
XFZJGFIKQCCLGK-UHFFFAOYSA-M
InChI
InChI=1S/C12H19N2.HI/c1-14(2)10-8-13(9-11-14)12-6-4-3-5-7-12;/h3-7H,8-11H2,1-2H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

8 names
  • Piperazinium, 1,1-dimethyl-4-phenyl-, iodide (1:1)
  • Piperazinium, 1,1-dimethyl-4-phenyl-, iodide
  • DMPP iodide
  • N,N-Dimethyl-N′-phenylpiperazinium iodide
  • Dimethylphenylpiperazinium iodide
  • DMPP
  • 1,1-Dimethyl-4-phenylpiperazine iodide
  • DMPP (nicotinic agonist)

Work with 1,1-Dimethyl-4-phenylpiperazinium iodide

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

1-Phenylpyrrolidine4096-21-348 % similar N-Phenylpiperidine4096-20-247 % similar N,N-Dibutylbenzenamine613-29-645 % similar N-Phenyldiethanolamine120-07-044 % similar 4-Phenylmorpholine92-53-544 % similar Phenylpiperazine92-54-644 % similar 3,3′-(Phenylimino)bis[propanenitrile]1555-66-442 % similar N-Phenylaza-15-crown-566750-10-542 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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