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1-Boc-4-cyanopiperidine

CAT: 0013-GTR19276571-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19276571-01Size:50 mg
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Description
1-Boc-4-cyanopiperidine serves as a PROTAC linker, facilitating the synthesis of PROTAC molecules.
CAS Number
91419-52-2
Smiles
N#CC1CCN (C (=O) OC (C) (C) C) CC1
Molecular Formula
C11H18N2O2
Molecular Weight
210.28
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tert-butyl 4-cyanopiperidine-1-carboxylate
CAS Number91419-52-2
PubChem CID1514443
IUPAC Nametert-butyl 4-cyanopiperidine-1-carboxylate
Molecular FormulaC11H18N2O2
Molecular Weight210.27
XLogP1.3
Topological Polar Surface Area53.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity277
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C#N
InChI
InChI=1S/C11H18N2O2/c1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13/h9H,4-7H2,1-3H3
InChIKey
UQADQTBQNVARAP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tert-butyl 4-cyanopiperidine-1-carboxylate
CAS: 91419-52-2
CID: 1514443
Formula: C11H18N2O2
MW: 210.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight210.27
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass210.136827821
Monoisotopic Mass210.136827821
Topological Polar Surface Area53.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity277
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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HY-40016-011-Boc-4-cyanopiperidine
B2526-53N-Boc-4-cyanopiperidine
OR9060-014-Cyanopiperidine, N-BOC protected
abx182905-011-N-Boc-3-Cyanopiperidine
OR81369-01(S) -1-Boc-2-Cyanopiperidine
OR90382(R) -1-Boc-2-Cyanopiperidine
GNA28125-014-Amino-4-cyanopiperidine, N1-BOC protected
VUA41534N-Boc-4-cyanopiperidine-4-carboxylic acid
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