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Chemical ID: 7025172
Chemical ID:
7025172
Name [?]:
2-(3-methylphenoxy)-1-(3-methyl-1-piperidyl)-ethanone
SMILES [?]:
Cc1cccc(c1)OCC(=O)N2CCCC(C2)C
InChi [?]:
InChI=1/C15H21NO2/c1-12-5-3-7-14(9-12)18-11-15(17)16-8-4-6-13(2)10-16/h3,5,7,9,13H,4,6,8,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,4,14,3,15,5,13,7,17,9,2,16,6,10,12,11,8/rA:18cCCCCCCCOCCONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;s14;s15;s12s16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21NO2 |
All Atoms: | 39 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.5901 |
Area: | 450.251 |
Solvation: | -3.66618 |
Coulombic: | -24.7644 |
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: | 2.85 |
LogP (Chemaxon): | 2.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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