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Chemical ID: 4440301
Chemical ID:
4440301
Name [?]:
1-(3-methyl-1-piperidyl)-2-(2,4,6-trimethylphenoxy)-ethanone
SMILES [?]:
Cc1cc(c(c(c1)C)OCC(=O)N2CCCC(C2)C)C
InChi [?]:
InChI=1/C17H25NO2/c1-12-6-5-7-18(10-12)16(19)11-20-17-14(3)8-13(2)9-15(17)4/h8-9,12H,5-7,10-11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:19,1,8,20,15,16,14,7,3,18,10,17,2,6,4,11,5,13,12,9/E:(3,4)(8,9)(14,15)/rA:20cCCCCCCCCOCCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s11;s13;s14;s15;s16;s13s17;s17;s4;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H25NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.88174 |
Area: | 488.639 |
Solvation: | -3.33423 |
Coulombic: | -25.0634 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 275.386 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.3 |
LogP (Chemaxon): | 3.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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