Chemical ID: 4324812

Cc1ccc(c(c1)C)OCC(=O)N2CCCCC2
Chemical ID:
4324812
Name [?]:
2-(2,4-dimethylphenoxy)-1-(1-piperidyl)ethanone
SMILES [?]:
Cc1ccc(c(c1)C)OCC(=O)N2CCCCC2
InChi [?]:
InChI=1/C15H21NO2/c1-12-6-7-14(13(2)10-12)18-11-15(17)16-8-4-3-5-9-16/h6-7,10H,3-5,8-9,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,16,15,17,3,4,14,18,7,10,2,6,5,11,13,12,9/E:(4,5)(8,9)/rA:18nCCCCCCCCOCCONCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s11;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H21NO2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.59003
Area:447.492
Solvation:-3.59726
Coulombic:-24.2865
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:2.78
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