ChemDB: Chemical Search
Download
Chemical ID: 6363730
Chemical ID:
6363730
Name [?]:
(4-ethylpiperazin-1-yl)-phenyl-methanone
SMILES [?]:
CCN1CCN(CC1)C(=O)c2ccccc2
InChi [?]:
InChI=1/C13H18N2O/c1-2-14-8-10-15(11-9-14)13(16)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,14,13,15,12,16,4,8,5,7,11,9,3,6,10/E:(4,5)(6,7)(8,9)(10,11)/rA:16nCCNCCNCCCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;d9;s9;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18N2O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.08134 |
Area: | 400.807 |
Solvation: | -1.93885 |
Coulombic: | -23.5176 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 218.295 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.64 |
LogP (Chemaxon): | 1.33 |
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 |
---|