ChemDB: Chemical Search
Download
Chemical ID: 6521511
Chemical ID:
6521511
Name [?]:
(2-aminophenyl)-[4-(2-pyridyl)piperazin-1-yl]-methanone
SMILES [?]:
c1ccc(c(c1)C(=O)N2CCN(CC2)c3ccccn3)N
InChi [?]:
InChI=1/C16H18N4O/c17-14-6-2-1-5-13(14)16(21)20-11-9-19(10-12-20)15-7-3-4-8-18-15/h1-8H,9-12,17H2
InChi Info:
AuxInfo=1/0/N:1,2,17,18,6,3,16,19,11,13,10,14,5,4,15,7,21,20,12,9,8/E:(9,10)(11,12)/rA:21nCCCCCCCONCCNCCCCCCCNN/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s12;s9s13;s12;s15;d16;s17;d18;d15s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H18N4O |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.75963 |
Area: | 466.299 |
Solvation: | -2.89785 |
Coulombic: | -46.183 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 282.34 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.47 |
LogP (Chemaxon): | 2.4 |
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 |
---|