Chemical ID: 5809650

CN1CCC(C(C1)C(=O)c2ccc(cc2)F)(c3ccc(cc3)F)O
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

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Descriptor Annotations

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