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Chemical ID: 4173980
Chemical ID:
4173980
Name [?]:
1-[3-(2-methylphenoxy)propyl]piperidine
SMILES [?]:
Cc1ccccc1OCCCN2CCCCC2
InChi [?]:
InChI=1/C15H23NO/c1-14-8-3-4-9-15(14)17-13-7-12-16-10-5-2-6-11-16/h3-4,8-9H,2,5-7,10-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,4,5,14,16,10,3,6,13,17,11,9,2,7,12,8/E:(5,6)(10,11)/rA:17nCCCCCCCOCCCNCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23NO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.84418 |
Area: | 445.764 |
Solvation: | -2.29993 |
Coulombic: | -13.8865 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 233.349 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.24 |
LogP (Chemaxon): | 3.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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