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Chemical ID: 4227616
Chemical ID:
4227616
Name [?]:
1-(2,4-dimethylphenoxy)-3-(1-piperidyl)propan-2-ol
SMILES [?]:
Cc1ccc(c(c1)C)OCC(CN2CCCCC2)O
InChi [?]:
InChI=1/C16H25NO2/c1-13-6-7-16(14(2)10-13)19-12-15(18)11-17-8-4-3-5-9-17/h6-7,10,15,18H,3-5,8-9,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,16,15,17,3,4,14,18,7,12,10,2,6,11,5,13,19,9/E:(4,5)(8,9)/rA:19cCCCCCCCCOCCCNCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;s11;s12;s13;s14;s15;s16;s13s17;s11;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H25NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.64637 |
Area: | 480.377 |
Solvation: | -4.36306 |
Coulombic: | -29.1638 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 263.375 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.64 |
LogP (Chemaxon): | 3.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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