Chemical ID: 7025175

Cc1cccc(c1OCC(=O)N2CCCC(C2)C)C
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

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Descriptor Annotations

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