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Chemical ID: 4298267
Chemical ID:
4298267
Name [?]:
1-[5-(2,4,6-trimethylphenoxy)pentyl]piperidine
SMILES [?]:
Cc1cc(c(c(c1)C)OCCCCCN2CCCCC2)C
InChi [?]:
InChI=1/C19H31NO/c1-16-14-17(2)19(18(3)15-16)21-13-9-5-8-12-20-10-6-4-7-11-20/h14-15H,4-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,21,18,12,17,19,13,11,16,20,14,10,7,3,2,6,4,5,15,9/E:(2,3)(6,7)(10,11)(14,15)(17,18)/rA:21nCCCCCCCCOCCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s15s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H31NO |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4032 |
Area: | 539.78 |
Solvation: | -2.0913 |
Coulombic: | -14.4236 |
Bond Count [?]
All: | 22 |
Single: | 19 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 289.456 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.62 |
LogP (Chemaxon): | 4.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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