Chemical ID: 6965201

Cc1ccc(cc1)OCC(=O)N2CCC(CC2)C
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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