Chemical ID: 7025198

Cc1cccc(c1OCC(=O)N2CC(CC(C2)C)C)C
Chemical ID:
7025198
Name [?]:
2-(2,6-dimethylphenoxy)-1-(3,5-dimethyl-1-piperidyl)-ethanone
SMILES [?]:
Cc1cccc(c1OCC(=O)N2CC(CC(C2)C)C)C
InChi [?]:
InChI=1/C17H25NO2/c1-12-8-13(2)10-18(9-12)16(19)11-20-17-14(3)6-5-7-15(17)4/h5-7,12-13H,8-11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:18,19,1,20,4,3,5,15,17,13,9,16,14,2,6,10,7,12,11,8/E:(1,2)(3,4)(6,7)(9,10)(12,13)(14,15)/rA:20cCCCCCCCOCCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;s14;s15;s12s16;s16;s14;s6;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H25NO2
All Atoms:45
Heavy Atoms:20
Chiral Atoms:2
ZAP Information [?]
Total:8.89725
Area:488.43
Solvation:-3.3135
Coulombic:-25.6831
Bond Count [?]
All:21
Single:17
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:275.386
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.16
LogP (Chemaxon):3.43

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