1-(1,1-Dimethylethyl) 4-methyl 4-(aminomethyl)-1,4-piperidinedicarboxylate

C₁₃H₂₄N₂O₄CAS 362703-35-3272.35 g/mol

Open in Covalent MOL file

Carbamate Ester Primary amine

Properties

Molecular formula: C₁₃H₂₄N₂O₄
Molar mass: 272.35 g/mol
Exact mass: 272.1736 Da
logP: 1.14Crippen estimate
Polar surface area: 81.9 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 2

Identifiers

CAS number

362703-35-3

SMILES

COC(=O)C1(CN)CCN(C(=O)OC(C)(C)C)CC1

InChIKey

HZHZQEZZXBLFHO-UHFFFAOYSA-N

InChI

InChI=1S/C13H24N2O4/c1-12(2,3)19-11(17)15-7-5-13(9-14,6-8-15)10(16)18-4/h5-9,14H2,1-4H3

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Names and synonyms

3 names

1,4-Piperidinedicarboxylic acid, 4-(aminomethyl)-, 1-(1,1-dimethylethyl) 4-methyl ester
1-O-tert-Butyl 4-O-methyl 4-(aminomethyl)piperidine-1,4-dicarboxylate
1-tert-Butyl 4-methyl 4-(aminomethyl)piperidine-1,4-dicarboxylate

Work with 1-(1,1-Dimethylethyl) 4-methyl 4-(aminomethyl)-1,4-piperidinedicarboxylate

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

1,1-Dimethylethyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate873924-08-451 % similar 1,1-Dimethylethyl 2-oxa-7-azaspiro[3.5]nonane-7-carboxylate240401-27-850 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-950 % similar 1-(1,1-Dimethylethyl) 4-methyl 1,4-piperidinedicarboxylate124443-68-149 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-849 % similar 1,1-Dimethylethyl 3-(aminomethyl)-3-hydroxy-1-azetidinecarboxylate1008526-71-348 % similar tert-Butyl 4-aminopiperidine-1-carboxylate87120-72-747 % similar N-Boc-diethanolamine103898-11-947 % similar

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

Same formula

1-Boc-4-[methoxy(methyl)carbamoyl]piperidine139290-70-3

Elsewhere

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