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Chemical ID: 5931404
Chemical ID:
5931404
Name [?]:
[5-amino-2-(4-benzyl-1-piperidyl)-phenyl]-(4-methyl-1-piperidyl)-methanone
SMILES [?]:
CC1CCN(CC1)C(=O)c2cc(ccc2N3CCC(CC3)Cc4ccccc4)N
InChi [?]:
InChI=1/C25H33N3O/c1-19-9-13-28(14-10-19)25(29)23-18-22(26)7-8-24(23)27-15-11-21(12-16-27)17-20-5-3-2-4-6-20/h2-8,18-19,21H,9-17,26H2,1H3
InChi Info:
AuxInfo=1/0/N:1,26,25,27,24,28,13,14,3,7,18,20,4,6,17,21,22,11,2,23,19,12,10,15,8,29,16,5,9/E:(3,4)(5,6)(9,10)(11,12)(13,14)(15,16)/rA:29nCCCCNCCCOCCCCCCNCCCCCCCCCCCCN/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;d11;s12;d13;d10s14;s15;s16;s17;s18;s19;s16s20;s19;s22;s23;d24;s25;d26;d23s27;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H33N3O |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.4524 |
Area: | 622.232 |
Solvation: | -3.10342 |
Coulombic: | -41.9441 |
Bond Count [?]
All: | 32 |
Single: | 25 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 391.549 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.15 |
LogP (Chemaxon): | 4.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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