ChemDB: Chemical Search
Download
Chemical ID: 7025182
Chemical ID:
7025182
Name [?]:
(4-isopropoxyphenyl)-(3-methyl-1-piperidyl)-methanone
SMILES [?]:
CC1CCCN(C1)C(=O)c2ccc(cc2)OC(C)C
InChi [?]:
InChI=1/C16H23NO2/c1-12(2)19-15-8-6-14(7-9-15)16(18)17-10-4-5-13(3)11-17/h6-9,12-13H,4-5,10-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:18,19,1,4,3,11,15,12,14,5,7,17,2,10,13,8,6,9,16/E:(1,2)(6,7)(8,9)/rA:19cCCCCCNCCOCCCCCCOCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;d8;s8;s10;d11;s12;d13;d10s14;s13;s16;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H23NO2 |
All Atoms: | 42 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.02518 |
Area: | 465.921 |
Solvation: | -2.62285 |
Coulombic: | -26.1349 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 261.359 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.53 |
LogP (Chemaxon): | 2.82 |
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 |
---|