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Chemical ID: 6693084
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
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Experimental Annotations
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Descriptor Annotations
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