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Chemical ID: 4193249
Chemical ID:
4193249
Name [?]:
2-(2,4-dimethylphenoxy)-1-(4-methyl-1-piperidyl)-ethanone
SMILES [?]:
Cc1ccc(c(c1)C)OCC(=O)N2CCC(CC2)C
InChi [?]:
InChI=1/C16H23NO2/c1-12-6-8-17(9-7-12)16(18)11-19-15-5-4-13(2)10-14(15)3/h4-5,10,12H,6-9,11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:19,1,8,3,4,15,17,14,18,7,10,16,2,6,5,11,13,12,9/E:(6,7)(8,9)/rA:19nCCCCCCCCOCCONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s11;s13;s14;s15;s16;s13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H23NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.14942 |
Area: | 469.967 |
Solvation: | -3.59977 |
Coulombic: | -24.5893 |
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: | 3.29 |
LogP (Chemaxon): | 2.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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