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Chemical ID: 6193927
Chemical ID:
6193927
Name [?]:
1-(2-methyl-1-piperidyl)-3-(4-tert-butylphenoxy)-propan-2-ol
SMILES [?]:
CC1CCCCN1CC(COc2ccc(cc2)C(C)(C)C)O
InChi [?]:
InChI=1/C19H31NO2/c1-15-7-5-6-12-20(15)13-17(21)14-22-18-10-8-16(9-11-18)19(2,3)4/h8-11,15,17,21H,5-7,12-14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,19,20,21,4,5,3,14,16,13,17,6,8,10,2,15,9,12,18,7,22,11/E:(2,3,4)(8,9)(10,11)/rA:22cCCCCCCNCCCOCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;s18;s18;s18;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H31NO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 8.97661 |
Area: | 534.638 |
Solvation: | -4.38933 |
Coulombic: | -30.3296 |
Bond Count [?]
All: | 23 |
Single: | 20 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 305.455 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.26 |
LogP (Chemaxon): | 4.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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