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Chemical ID: 7025206
Chemical ID:
7025206
Name [?]:
(3,5-dimethyl-1-piperidyl)-(4-isopropoxyphenyl)-methanone
SMILES [?]:
CC1CC(CN(C1)C(=O)c2ccc(cc2)OC(C)C)C
InChi [?]:
InChI=1/C17H25NO2/c1-12(2)20-16-7-5-15(6-8-16)17(19)18-10-13(3)9-14(4)11-18/h5-8,12-14H,9-11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:18,19,1,20,11,15,12,14,3,7,5,17,2,4,10,13,8,6,9,16/E:(1,2)(3,4)(5,6)(7,8)(10,11)(13,14)/rA:20cCCCCCNCCOCCCCCCOCCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;d8;s8;s10;d11;s12;d13;d10s14;s13;s16;s17;s17;s4;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H25NO2 |
All Atoms: | 45 |
Heavy Atoms: | 20 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.58366 |
Area: | 486.802 |
Solvation: | -2.5864 |
Coulombic: | -26.5169 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 275.386 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.82 |
LogP (Chemaxon): | 3.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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