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Chemical ID: 7025198
Chemical ID:
7025198
Name [?]:
2-(2,6-dimethylphenoxy)-1-(3,5-dimethyl-1-piperidyl)-ethanone
SMILES [?]:
Cc1cccc(c1OCC(=O)N2CC(CC(C2)C)C)C
InChi [?]:
InChI=1/C17H25NO2/c1-12-8-13(2)10-18(9-12)16(19)11-20-17-14(3)6-5-7-15(17)4/h5-7,12-13H,8-11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:18,19,1,20,4,3,5,15,17,13,9,16,14,2,6,10,7,12,11,8/E:(1,2)(3,4)(6,7)(9,10)(12,13)(14,15)/rA:20cCCCCCCCOCCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;s14;s15;s12s16;s16;s14;s6;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H25NO2 |
All Atoms: | 45 |
Heavy Atoms: | 20 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.89725 |
Area: | 488.43 |
Solvation: | -3.3135 |
Coulombic: | -25.6831 |
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: | 3.16 |
LogP (Chemaxon): | 3.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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