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Chemical ID: 7025199
Chemical ID:
7025199
Name [?]:
1-(3,5-dimethyl-1-piperidyl)-2-(2,4,6-trimethylphenoxy)-ethanone
SMILES [?]:
Cc1cc(c(c(c1)C)OCC(=O)N2CC(CC(C2)C)C)C
InChi [?]:
InChI=1/C18H27NO2/c1-12-7-15(4)18(16(5)8-12)21-11-17(20)19-9-13(2)6-14(3)10-19/h7-8,13-14H,6,9-11H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,19,20,8,21,16,7,3,18,14,10,2,17,15,6,4,11,5,13,12,9/E:(2,3)(4,5)(7,8)(9,10)(13,14)(15,16)/rA:21cCCCCCCCCOCCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s11;s13;s14;s15;s16;s13s17;s17;s15;s4;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H27NO2 |
All Atoms: | 48 |
Heavy Atoms: | 21 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.49131 |
Area: | 512.111 |
Solvation: | -3.31147 |
Coulombic: | -25.4518 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 289.413 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.6 |
LogP (Chemaxon): | 3.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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