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Chemical ID: 7305881
Chemical ID:
7305881
Name [?]:
(3,5-dimethyl-1-piperidyl)-(2-quinolyl)methanone
SMILES [?]:
CC1CC(CN(C1)C(=O)c2ccc3ccccc3n2)C
InChi [?]:
InChI=1/C17H20N2O/c1-12-9-13(2)11-19(10-12)17(20)16-8-7-14-5-3-4-6-15(14)18-16/h3-8,12-13H,9-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,15,16,14,17,12,11,3,7,5,2,4,13,18,10,8,19,6,9/E:(1,2)(10,11)(12,13)/rA:20cCCCCCNCCOCCCCCCCCCNC/rB:s1;s2;s3;s4;s5;s2s6;s6;d8;s8;s10;d11;s12;s13;d14;s15;d16;d13s17;d10s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20N2O |
All Atoms: | 40 |
Heavy Atoms: | 20 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.79367 |
Area: | 451.313 |
Solvation: | -1.48917 |
Coulombic: | -26.5223 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 268.354 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.22 |
LogP (Chemaxon): | 3.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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