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Chemical ID: 4291099
Chemical ID:
4291099
Name [?]:
1-[5-(3,5-dimethylphenoxy)pentyl]piperidine
SMILES [?]:
Cc1cc(cc(c1)OCCCCCN2CCCCC2)C
InChi [?]:
InChI=1/C18H29NO/c1-16-13-17(2)15-18(14-16)20-12-8-4-7-11-19-9-5-3-6-10-19/h13-15H,3-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,17,11,16,18,12,10,15,19,13,9,3,7,5,2,4,6,14,8/E:(1,2)(5,6)(9,10)(14,15)(16,17)/rA:20nCCCCCCCOCCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s14s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H29NO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7466 |
Area: | 523.422 |
Solvation: | -2.33894 |
Coulombic: | -14.1643 |
Bond Count [?]
All: | 21 |
Single: | 18 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 275.429 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.6 |
LogP (Chemaxon): | 4.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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