Chemical ID: 6693084

CC1CC(CC(N1C)(C)C)OC(=O)C(c2ccccc2)O
Chemical ID:
6693084
Name [?]:
(1,2,2,6-tetramethyl-4-piperidyl) 2-hydroxy-2-phenyl-acetate
SMILES [?]:
CC1CC(CC(N1C)(C)C)OC(=O)C(c2ccccc2)O
InChi [?]:
InChI=1/C17H25NO3/c1-12-10-14(11-17(2,3)18(12)4)21-16(20)15(19)13-8-6-5-7-9-13/h5-9,12,14-15,19H,10-11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,9,10,8,18,17,19,16,20,3,5,2,15,4,14,12,6,7,21,13,11/E:(2,3)(6,7)(8,9)/rA:21cCCCCCCNCCCOCOCCCCCCCO/rB:s1;s2;s3;s4;s5;s2s6;s7;s6;s6;s4;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s14;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H25NO3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:4
ZAP Information [?]
Total:9.48616
Area:491.911
Solvation:-2.81161
Coulombic:-43.9049
Bond Count [?]
All:22
Single:18
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:291.385
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.51
LogP (Chemaxon):2.16

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue