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Chemical ID: 7025178
Chemical ID:
7025178
Name [?]:
(4-butoxyphenyl)-(3-methyl-1-piperidyl)-methanone
SMILES [?]:
CCCCOc1ccc(cc1)C(=O)N2CCCC(C2)C
InChi [?]:
InChI=1/C17H25NO2/c1-3-4-12-20-16-9-7-15(8-10-16)17(19)18-11-5-6-14(2)13-18/h7-10,14H,3-6,11-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,2,3,16,17,8,10,7,11,15,4,19,18,9,6,12,14,13,5/E:(7,8)(9,10)/rA:20cCCCCOCCCCCCCONCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;s16;s17;s14s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H25NO2 |
All Atoms: | 45 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.78208 |
Area: | 498.798 |
Solvation: | -2.68789 |
Coulombic: | -26.6158 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 275.386 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.99 |
LogP (Chemaxon): | 3.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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