Chemical ID: 5089870

CN1C(CCCC1CC(=O)c2ccccc2)CC(=O)c3ccccc3
Chemical ID:
5089870
Name [?]:
2-(1-methyl-6-phenacyl-2-piperidyl)-1-phenyl-ethanone
SMILES [?]:
CN1C(CCCC1CC(=O)c2ccccc2)CC(=O)c3ccccc3
InChi [?]:
InChI=1/C22H25NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-20H,8,13-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,23,13,15,22,24,5,12,16,21,25,6,4,8,17,11,20,7,3,9,18,2,10,19/E:(2,3)(4,5,6,7)(9,10,11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(24,25)/rA:25cCNCCCCCCCOCCCCCCCCOCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s3;s17;d18;s18;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H25NO2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:2
ZAP Information [?]
Total:10.2193
Area:552.052
Solvation:-3.58203
Coulombic:-23.0288
Bond Count [?]
All:27
Single:19
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:335.439
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.97
LogP (Chemaxon):3.51

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Descriptor Annotations

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