Methyl 4-((4-methylpiperazin-1-yl)methyl)benzoate

C14H20N2O2CAS 314268-40-1248.33 g/mol

Open in Covalent MOL file
NNOO
EsterTertiary amine

Properties

Molecular formula
C14H20N2O2
Molar mass
248.33 g/mol
Exact mass
248.1525 Da
logP
1.22Crippen estimate
Polar surface area
32.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
314268-40-1
SMILES
CN1CCN(CC1)CC2=CC=C(C=C2)C(=O)OC
InChIKey
MEYCYFIWDAQKQK-UHFFFAOYSA-N
InChI
InChI=1S/C14H20N2O2/c1-15-7-9-16(10-8-15)11-12-3-5-13(6-4-12)14(17)18-2/h3-6H,7-11H2,1-2H3

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Names and synonyms

1 names
  • Methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate

Work with Methyl 4-((4-methylpiperazin-1-yl)methyl)benzoate

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-Piperazin-1-ylmethyl-benzoic acid methyl ester86620-81-770 % similar 4-(4-Methyl-1-piperazinylmethyl)benzoic acid106261-48-761 % similar 4-((4-Methyl-1-piperazinyl)methyl)benzoic acid dihydrochloride106261-49-857 % similar 1-(4-(Chlorocarbonyl)benzyl)-4-methylpiperazinediium dichloride106261-64-757 % similar Dimethyl terephthalate120-61-653 % similar Methyl 4-(aminomethyl)benzoate18469-52-853 % similar Methyl 4-(bromomethyl)benzoate2417-72-353 % similar Methyl 4-(chloromethyl)benzoate34040-64-753 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Benzyl (5r)-5-methyl-1,4-diazepane-1-carboxylate1001401-60-0 Pindolol13523-86-9 1-N-Cbz-trans-1,4-cyclohexyldiamine149423-77-8 4-Aminomethyl-1-N-Cbz-piperidine157023-34-2 6-Amino-2-N-boc-1,2,3,4-tetrahydro-isoquinoline164148-92-9 tert-Butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate171049-41-5 Phenylmethyl 3-(aminomethyl)-1-piperidinecarboxylate315717-76-1 Benzyl 2-(aminomethyl)piperidine-1-carboxylate811842-18-9

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