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Chemical ID: 7027356
Chemical ID:
7027356
Name [?]:
1-(2,6-dimethyl-1-piperidyl)-3-(2-fluorophenoxy)-propan-2-ol
SMILES [?]:
CC1CCCC(N1CC(COc2ccccc2F)O)C
InChi [?]:
InChI=1/C16H24FNO2/c1-12-6-5-7-13(2)18(12)10-14(19)11-20-16-9-4-3-8-15(16)17/h3-4,8-9,12-14,19H,5-7,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,15,14,4,3,5,16,13,8,10,2,6,9,17,12,18,7,19,11/E:(1,2)(6,7)(12,13)/rA:20cCCCCCCNCCCOCCCCCCFOC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s9;s6;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H24FNO2 |
All Atoms: | 44 |
Heavy Atoms: | 20 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 6.04856 |
Area: | 470.874 |
Solvation: | -5.7233 |
Coulombic: | -33.0765 |
Bond Count [?]
All: | 21 |
Single: | 18 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 281.366 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.06 |
LogP (Chemaxon): | 3.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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