4-[(2,6-Dimethylphenyl)aminocarbonylmethyl]piperazine

C₁₄H₂₁N₃OCAS 5294-61-1247.34 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₁₄H₂₁N₃O
Molar mass: 247.34 g/mol
Exact mass: 247.1685 Da
Melting point: 110–114 °C
logP: 1.80Crippen estimate
Polar surface area: 47.9 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowed80% of notifiers
H315 Causes skin irritation20% of notifiers
H317 May cause an allergic skin reaction80% of notifiers
H318 Causes serious eye damage80% of notifiers
H319 Causes serious eye irritation20% of notifiers
H335 May cause respiratory irritation10% of notifiers

Aggregated from 10 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

5294-61-1

SMILES

Cc1cccc(C)c1N=C(O)CN1CCNCC1

InChIKey

NJKRFQIWDJSYOK-UHFFFAOYSA-N

InChI

InChI=1S/C14H21N3O/c1-11-4-3-5-12(2)14(11)16-13(18)10-17-8-6-15-7-9-17/h3-5,15H,6-10H2,1-2H3,(H,16,18)

Weigh it out

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

Names and synonyms

6 names

1-Piperazineacetamide, N-(2,6-dimethylphenyl)-
1-Piperazineaceto-2′,6′-xylidide
N-(2,6-Dimethylphenyl)-1-piperazineacetamide
RS 94287
N-(2,6-Dimethylphenyl)-2-piperazinylacetamide
N-(2,6-Dimethylphenyl)-2-(1-piperazinyl)acetamide

Work with 4-[(2,6-Dimethylphenyl)aminocarbonylmethyl]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

Lidocaine137-58-667 % similar Lidocaine hydrochloride73-78-962 % similar Lidocaine hydrochloride monohydrate6108-05-058 % similar Nefiracetam77191-36-753 % similar 2-Chloro-N-(2,6-dimethylphenyl)acetamide1131-01-753 % similar Ranolazine95635-55-549 % similar Pilsicainide88069-67-449 % similar Ranolazine hydrochloride95635-56-647 % similar

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

Same formula

Y-27632146986-50-7

Elsewhere

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