(S)-1-N-Boc-3-cyanopiperidine
Properties
- Molecular formula
- C11H18N2O2
- Molar mass
- 210.28 g/mol
- Exact mass
- 210.1368 Da
- logP
- 2.16Crippen estimate
- Polar surface area
- 53.3 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 0
- Stereocentres
- Sin SMILES atom order
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
915226-39-0SMILES
CC(C)(C)OC(=O)N1CCC[C@@H](C1)C#NInChIKey
UEFZTXGFHKPSFS-SECBINFHSA-NInChI
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/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Work with (S)-1-N-Boc-3-cyanopiperidine
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.
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.