Chemical ID: 4440301

Cc1cc(c(c(c1)C)OCC(=O)N2CCCC(C2)C)C
Chemical ID:
4440301
Name [?]:
1-(3-methyl-1-piperidyl)-2-(2,4,6-trimethylphenoxy)-ethanone
SMILES [?]:
Cc1cc(c(c(c1)C)OCC(=O)N2CCCC(C2)C)C
InChi [?]:
InChI=1/C17H25NO2/c1-12-6-5-7-18(10-12)16(19)11-20-17-14(3)8-13(2)9-15(17)4/h8-9,12H,5-7,10-11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:19,1,8,20,15,16,14,7,3,18,10,17,2,6,4,11,5,13,12,9/E:(3,4)(8,9)(14,15)/rA:20cCCCCCCCCOCCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s11;s13;s14;s15;s16;s13s17;s17;s4;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H25NO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:8.88174
Area:488.639
Solvation:-3.33423
Coulombic:-25.0634
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:3.3
LogP (Chemaxon):3.49

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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