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Chemical ID: 4183790
Chemical ID:
4183790
Name [?]:
(1,2,5-trimethyl-4-piperidyl) 2,2-diphenylacetate
SMILES [?]:
CC1CC(C(CN1C)C)OC(=O)C(c2ccccc2)c3ccccc3
InChi [?]:
InChI=1/C22H27NO2/c1-16-15-23(3)17(2)14-20(16)25-22(24)21(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,16-17,20-21H,14-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:9,1,8,17,23,16,18,22,24,15,19,21,25,3,6,5,2,14,20,4,13,11,7,12,10/E:(4,5)(6,7,8,9)(10,11,12,13)(18,19)/rA:25cCCCCCCNCCOCOCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s7;s5;s4;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s13;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H27NO2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 10.9145 |
Area: | 538.28 |
Solvation: | -2.54251 |
Coulombic: | -27.4024 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 337.455 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.59 |
LogP (Chemaxon): | 4.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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