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Chemical ID: 5170248
Chemical ID:
5170248
Name [?]:
1-(4-fluorophenoxy)-3-(4-methyl-1-piperidyl)-propan-2-ol
SMILES [?]:
CC1CCN(CC1)CC(COc2ccc(cc2)F)O
InChi [?]:
InChI=1/C15H22FNO2/c1-12-6-8-17(9-7-12)10-14(18)11-19-15-4-2-13(16)3-5-15/h2-5,12,14,18H,6-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,16,13,17,3,7,4,6,8,10,2,15,9,12,18,5,19,11/E:(2,3)(4,5)(6,7)(8,9)/rA:19cCCCCNCCCCCOCCCCCCFO/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;s9;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22FNO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.39034 |
Area: | 468.434 |
Solvation: | -5.3205 |
Coulombic: | -32.3758 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 267.339 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.65 |
LogP (Chemaxon): | 2.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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