Chemical ID: 5562226

CC1CCN(CC1)C(=O)C2CCN(CC2)Cc3ccc(cc3)C(F)(F)F
Chemical ID:
5562226
Name [?]:
(4-methyl-1-piperidyl)-[1-[[4-(trifluoromethyl)phenyl]methyl]-4-piperidyl]-methanone
SMILES [?]:
CC1CCN(CC1)C(=O)C2CCN(CC2)Cc3ccc(cc3)C(F)(F)F
InChi [?]:
InChI=1/C20H27F3N2O/c1-15-6-12-25(13-7-15)19(26)17-8-10-24(11-9-17)14-16-2-4-18(5-3-16)20(21,22)23/h2-5,15,17H,6-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,22,19,21,3,7,11,15,12,14,4,6,16,2,17,10,20,8,23,24,25,26,13,5,9/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(21,22,23)/rA:26nCCCCNCCCOCCCNCCCCCCCCCCFFF/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;s11;s12;s13;s10s14;s13;s16;s17;d18;s19;d20;d17s21;s20;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H27F3N2O
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.7316
Area:560.729
Solvation:-3.28665
Coulombic:-40.7727
Bond Count [?]
All:28
Single:24
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:368.436
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.92
LogP (Chemaxon):3.55

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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