Chemical ID: 7025191

CC1CC(CN(C1)C(=O)COc2ccccc2OC)C
Chemical ID:
7025191
Name [?]:
1-(3,5-dimethyl-1-piperidyl)-2-(2-methoxyphenoxy)-ethanone
SMILES [?]:
CC1CC(CN(C1)C(=O)COc2ccccc2OC)C
InChi [?]:
InChI=1/C16H23NO3/c1-12-8-13(2)10-17(9-12)16(18)11-20-15-7-5-4-6-14(15)19-3/h4-7,12-13H,8-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,19,15,14,16,13,3,7,5,10,2,4,17,12,8,6,9,18,11/E:(1,2)(9,10)(12,13)/rA:20cCCCCCNCCOCOCCCCCCOCC/rB:s1;s2;s3;s4;s5;s2s6;s6;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H23NO3
All Atoms:43
Heavy Atoms:20
Chiral Atoms:2
ZAP Information [?]
Total:6.19144
Area:488.34
Solvation:-6.01705
Coulombic:-31.2436
Bond Count [?]
All:21
Single:17
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:277.359
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.36
LogP (Chemaxon):2.24

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