Chemical ID: 5409950

Cc1cccc(c1OCC(=O)N2CCCCC2)C
Chemical ID:
5409950
Name [?]:
2-(2,6-dimethylphenoxy)-1-(1-piperidyl)ethanone
SMILES [?]:
Cc1cccc(c1OCC(=O)N2CCCCC2)C
InChi [?]:
InChI=1/C15H21NO2/c1-12-7-6-8-13(2)15(12)18-11-14(17)16-9-4-3-5-10-16/h6-8H,3-5,9-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,15,14,16,4,3,5,13,17,9,2,6,10,7,12,11,8/E:(1,2)(4,5)(7,8)(9,10)(12,13)/rA:18nCCCCCCCOCCONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;s14;s15;s12s16;s6;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H21NO2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.75108
Area:443.603
Solvation:-3.33899
Coulombic:-24.9223
Bond Count [?]
All:19
Single:15
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:247.333
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.57
LogP (Chemaxon):2.62

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue