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Chemical ID: 7025175
Chemical ID:
7025175
Name [?]:
2-(2,6-dimethylphenoxy)-1-(3-methyl-1-piperidyl)-ethanone
SMILES [?]:
Cc1cccc(c1OCC(=O)N2CCCC(C2)C)C
InChi [?]:
InChI=1/C16H23NO2/c1-12-6-5-9-17(10-12)15(18)11-19-16-13(2)7-4-8-14(16)3/h4,7-8,12H,5-6,9-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:18,1,19,4,14,15,3,5,13,17,9,16,2,6,10,7,12,11,8/E:(2,3)(7,8)(13,14)/rA:19cCCCCCCCOCCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;s14;s15;s12s16;s16;s6;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H23NO2 |
All Atoms: | 42 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.32647 |
Area: | 466.387 |
Solvation: | -3.3332 |
Coulombic: | -25.2947 |
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: | 2.86 |
LogP (Chemaxon): | 3.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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