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Chemical ID: 7025191
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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