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Chemical ID: 7025168
Chemical ID:
7025168
Name [?]:
2-(2-methoxyphenoxy)-1-(3-methyl-1-piperidyl)-ethanone
SMILES [?]:
CC1CCCN(C1)C(=O)COc2ccccc2OC
InChi [?]:
InChI=1/C15H21NO3/c1-12-6-5-9-16(10-12)15(17)11-19-14-8-4-3-7-13(14)18-2/h3-4,7-8,12H,5-6,9-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,15,14,4,3,16,13,5,7,10,2,17,12,8,6,9,18,11/rA:19cCCCCCNCCOCOCCCCCCOC/rB:s1;s2;s3;s4;s5;s2s6;s6;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21NO3 |
All Atoms: | 40 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.59256 |
Area: | 464.033 |
Solvation: | -6.00827 |
Coulombic: | -30.8587 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 263.332 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.06 |
LogP (Chemaxon): | 1.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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