Chemical ID: 4183790

CC1CC(C(CN1C)C)OC(=O)C(c2ccccc2)c3ccccc3
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

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Descriptor Annotations

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