(S)-1-N-Boc-3-cyanopiperidine

C₁₁H₁₈N₂O₂CAS 915226-39-0210.28 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: 2.16Crippen estimate
Polar surface area: 53.3 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0
Stereocentres: Sin SMILES atom order

Hazards

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

Identifiers

CAS number

915226-39-0

SMILES

CC(C)(C)OC(=O)N1CCC[C@@H](C1)C#N

InChIKey

UEFZTXGFHKPSFS-SECBINFHSA-N

InChI

InChI=1S/C11H18N2O2/c1-11(2,3)15-10(14)13-6-4-5-9(7-12)8-13/h9H,4-6,8H2,1-3H3/t9-/m1/s1

Weigh it out

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

Work with (S)-1-N-Boc-3-cyanopiperidine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

N-Boc-3-cyanopiperidine91419-53-3Stereo not defined

Similar compounds

(R)-1-Boc-3-cyanopyrrolidine132945-76-784 % similar (S)-1-Boc-3-cyanopyrrolidine132945-78-984 % similar 1-Boc-3-cyanopyrrolidine476493-40-084 % similar 1-Boc-3-cyanoazetidine142253-54-174 % similar tert-Butyl 3-ethynylpiperidine-1-carboxylate664362-16-771 % similar (R)-1-Boc-3-hydroxypiperidine143900-43-060 % similar (S)-1-Boc-3-hydroxypiperidine143900-44-160 % similar 1-Boc-3-aminopiperidine144243-24-360 % 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 2-cyanopiperidine-1-carboxylate153749-89-4 tert-Butyl 4-cyanopiperidine-1-carboxylate91419-52-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook