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Chemical ID: 6965201
Chemical ID:
6965201
Name [?]:
2-(4-methylphenoxy)-1-(4-methyl-1-piperidyl)-ethanone
SMILES [?]:
Cc1ccc(cc1)OCC(=O)N2CCC(CC2)C
InChi [?]:
InChI=1/C15H21NO2/c1-12-3-5-14(6-4-12)18-11-15(17)16-9-7-13(2)8-10-16/h3-6,13H,7-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,3,7,4,6,14,16,13,17,9,2,15,5,10,12,11,8/E:(3,4)(5,6)(7,8)(9,10)/rA:18nCCCCCCCOCCONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;s14;s15;s12s16;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21NO2 |
All Atoms: | 39 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.58444 |
Area: | 450.148 |
Solvation: | -3.66925 |
Coulombic: | -24.6558 |
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: | 3.06 |
LogP (Chemaxon): | 2.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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