tert-Butyl 2-cyanopiperidine-1-carboxylate

C11H18N2O2CAS 153749-89-4210.28 g/mol

Open in Covalent MOL file
OONN
CarbamateNitrile

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P501

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 (S)-1-Boc-2-cyanopyrrolidine228244-04-092 % similar (R)-1-Boc-2-cyanopyrrolidine228244-20-092 % similar tert-Butyl (2S,4S)-2-cyano-4-fluoropyrrolidine-1-carboxylate426844-76-058 % similar (2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine483366-12-758 % similar N-Boc-piperidine-2-methanol157634-00-957 % similar 2-(Aminomethyl)-1-boc-piperidine370069-31-157 % similar (R)-2-Aminomethyl-1-N-boc-piperidine683233-14-957 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,6-Bis[(2-hydroxyethyl)amino]toluene149330-25-6 tert-Butyl 4-cyanopiperidine-1-carboxylate91419-52-2 N-Boc-3-cyanopiperidine91419-53-3 (S)-1-N-Boc-3-cyanopiperidine915226-39-0

Elsewhere

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