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Chemical ID: 5409950
Chemical ID:
5409950
Name [?]:
2-(2,6-dimethylphenoxy)-1-(1-piperidyl)ethanone
SMILES [?]:
Cc1cccc(c1OCC(=O)N2CCCCC2)C
InChi [?]:
InChI=1/C15H21NO2/c1-12-7-6-8-13(2)15(12)18-11-14(17)16-9-4-3-5-10-16/h6-8H,3-5,9-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,15,14,16,4,3,5,13,17,9,2,6,10,7,12,11,8/E:(1,2)(4,5)(7,8)(9,10)(12,13)/rA:18nCCCCCCCOCCONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;s14;s15;s12s16;s6;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21NO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.75108 |
Area: | 443.603 |
Solvation: | -3.33899 |
Coulombic: | -24.9223 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 247.333 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.57 |
LogP (Chemaxon): | 2.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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