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Chemical ID: 4286115
Chemical ID:
4286115
Name [?]:
1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine
SMILES [?]:
Cc1cc(c(c(c1)OCCCN2CCCCC2)C)C
InChi [?]:
InChI=1/C17H27NO/c1-14-12-15(2)16(3)17(13-14)19-11-7-10-18-8-5-4-6-9-18/h12-13H,4-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,18,15,14,16,10,13,17,11,9,3,7,2,4,5,6,12,8/E:(5,6)(8,9)/rA:19nCCCCCCCOCCCNCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;s5;s4;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H27NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.88033 |
Area: | 487.021 |
Solvation: | -2.29519 |
Coulombic: | -13.4867 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 261.402 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.11 |
LogP (Chemaxon): | 3.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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