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Chemical ID: 6431102
Chemical ID:
6431102
Name [?]:
1-(4-methyl-1-piperidyl)-3-(2,4,6-trimethylphenoxy)-propan-2-ol
SMILES [?]:
Cc1cc(c(c(c1)C)OCC(CN2CCC(CC2)C)O)C
InChi [?]:
InChI=1/C18H29NO2/c1-13-5-7-19(8-6-13)11-17(20)12-21-18-15(3)9-14(2)10-16(18)4/h9-10,13,17,20H,5-8,11-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:19,1,8,21,15,17,14,18,7,3,12,10,16,2,6,4,11,5,13,20,9/E:(3,4)(5,6)(7,8)(9,10)(15,16)/rA:21cCCCCCCCCOCCCNCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;s11;s12;s13;s14;s15;s16;s13s17;s16;s11;s4;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H29NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.8028 |
Area: | 516.559 |
Solvation: | -4.11118 |
Coulombic: | -29.7228 |
Bond Count [?]
All: | 22 |
Single: | 19 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 291.428 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.38 |
LogP (Chemaxon): | 3.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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