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Chemical ID: 5809650
Chemical ID:
5809650
Name [?]:
(4-fluorophenyl)-[4-(4-fluorophenyl)-4-hydroxy-1-methyl-3-piperidyl]-methanone
SMILES [?]:
CN1CCC(C(C1)C(=O)c2ccc(cc2)F)(c3ccc(cc3)F)O
InChi [?]:
InChI=1/C19H19F2NO2/c1-22-11-10-19(24,14-4-8-16(21)9-5-14)17(12-22)18(23)13-2-6-15(20)7-3-13/h2-9,17,24H,10-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,15,18,22,12,14,19,21,4,3,7,10,17,13,20,6,8,5,16,23,2,9,24/E:(2,3)(4,5)(6,7)(8,9)/rA:24cCNCCCCCCOCCCCCCFCCCCCCFO/rB:s1;s2;s3;s4;s5;s2s6;s6;d8;s8;s10;d11;s12;d13;d10s14;s13;s5;s17;d18;s19;d20;d17s21;s20;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19F2NO2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 6.44512 |
Area: | 459.169 |
Solvation: | -5.03409 |
Coulombic: | -37.9994 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 331.357 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.1 |
LogP (Chemaxon): | 2.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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