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Chemical ID: 4987938
Chemical ID:
4987938
Name [?]:
3,3,6,8-tetramethyl-1-(2-piperidyl)tetralin-1-ol
SMILES [?]:
Cc1cc(c2c(c1)CC(CC2(C3CCCCN3)O)(C)C)C
InChi [?]:
InChI=1/C19H29NO/c1-13-9-14(2)17-15(10-13)11-18(3,4)12-19(17,21)16-7-5-6-8-20-16/h9-10,16,20-21H,5-8,11-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,21,19,20,14,15,13,16,3,7,8,10,2,4,6,12,5,9,11,17,18/E:(3,4)/rA:21cCCCCCCCCCCCCCCCCNOCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s5s10;s11;s12;s13;s14;s15;s12s16;s11;s9;s9;s4;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H29NO |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.53993 |
Area: | 452.896 |
Solvation: | -1.78246 |
Coulombic: | -28.2189 |
Bond Count [?]
All: | 23 |
Single: | 20 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 287.44 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 4.28 |
LogP (Chemaxon): | 4.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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