tert-Butyl 2-cyanopiperidine-1-carboxylate

C₁₁H₁₈N₂O₂CAS 153749-89-4210.28 g/mol

Open in Covalent MOL file

Carbamate Nitrile

Properties

Molecular formula: C₁₁H₁₈N₂O₂
Molar mass: 210.28 g/mol
Exact mass: 210.1368 Da
logP: 2.30Crippen estimate
Polar surface area: 53.3 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Identifiers

CAS number

153749-89-4

SMILES

CC(C)(C)OC(=O)N1CCCCC1C#N

InChIKey

LKAJZBMOVZIKHA-UHFFFAOYSA-N

InChI

InChI=1S/C11H18N2O2/c1-11(2,3)15-10(14)13-7-5-4-6-9(13)8-12/h9H,4-7H2,1-3H3

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Names and synonyms

1 names

N-Boc-2-cyanopiperidine

Work with tert-Butyl 2-cyanopiperidine-1-carboxylate

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 2-cyano-1-pyrrolidinecarboxylate144688-70-092 % similar 1-tert-Butyl 2-methyl piperidine-1,2-dicarboxylate167423-93-054 % similar (R)-1-Boc-3-cyanopyrrolidine132945-76-753 % similar (S)-1-Boc-3-cyanopyrrolidine132945-78-953 % similar 1,1-Dimethylethyl (2S)-2-formyl-1-pyrrolidinecarboxylate69610-41-952 % similar 1-[(1,1-Dimethylethoxy)carbonyl]-2-piperidinepropanoic acid669713-96-652 % similar tert-Butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate170491-63-151 % similar 1-(1,1-Dimethylethyl) 2-borono-1-pyrrolidinecarboxylate149682-75-750 % similar

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

Same formula

2,6-Bis[(2-hydroxyethyl)amino]toluene149330-25-6

Elsewhere

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