ChemDB: Chemical Search
Download
Chemical ID: 4732123
Chemical ID:
4732123
Name [?]:
2-(1-piperidyl)pyridine-3-carboxylic acid
SMILES [?]:
c1cc(c(nc1)N2CCCCC2)C(=O)O
InChi [?]:
InChI=1/C11H14N2O2/c14-11(15)9-5-4-6-12-10(9)13-7-2-1-3-8-13/h4-6H,1-3,7-8H2,(H,14,15)
InChi Info:
AuxInfo=1/1/N:10,9,11,1,2,6,8,12,3,4,13,5,7,14,15/E:(2,3)(7,8)(14,15)/rA:15nCCCCNCNCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s7s11;s3;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14N2O2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.77959 |
Area: | 365.706 |
Solvation: | -2.36306 |
Coulombic: | -38.8232 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 206.241 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.19 |
LogP (Chemaxon): | -0.04 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|