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Chemical ID: 4179763
Chemical ID:
4179763
Name [?]:
1-[2-(2,3,5-trimethylphenoxy)ethyl]piperidine
SMILES [?]:
Cc1cc(c(c(c1)OCCN2CCCCC2)C)C
InChi [?]:
InChI=1/C16H25NO/c1-13-11-14(2)15(3)16(12-13)18-10-9-17-7-5-4-6-8-17/h11-12H,4-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,18,17,14,13,15,12,16,10,9,3,7,2,4,5,6,11,8/E:(5,6)(7,8)/rA:18nCCCCCCCOCCNCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s14;s11s15;s5;s4;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H25NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.6808 |
Area: | 457.51 |
Solvation: | -2.75695 |
Coulombic: | -12.7814 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 247.376 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.75 |
LogP (Chemaxon): | 3.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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