General Information of the Compound
Compound ID
CP0381375
Compound Name
4-hydroxypiperidine-1-carbonitrile
    Show/Hide
Structure
Formula
C6H10N2O
Molecular Weight
126.159
Canonical SMILES
OC1CCN(CC1)C#N
    Show/Hide
InChI
InChI=1S/C6H10N2O/c7-5-8-3-1-6(9)2-4-8/h6,9H,1-4H2
    Show/Hide
InChIKey
OPBQHNZSOOLCPP-UHFFFAOYSA-N
Physicochemical Property
logP
-0.07582
Rotatable Bonds
0
Heavy Atom Count
9
Polar Areas
47.26
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
9

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 21897825
SID: 163539918
ChEMBL ID
CHEMBL2177768
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02455, Glucose-dependent insulinotropic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 316.23 nM
   TI
   LI
   LO
   TS