Chemical ID: 7027356

CC1CCCC(N1CC(COc2ccccc2F)O)C
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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