1,1-Dimethyl-4-phenylpiperazinium iodide

C₁₂H₁₉IN₂CAS 54-77-3318.20 g/mol

Open in Covalent MOL file

Quaternary ammonium Tertiary 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 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

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

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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,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 Diethylaniline91-66-742 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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