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Chemical ID: 4174108
Chemical ID:
4174108
Name [?]:
1-[3-(4-methylphenoxy)propyl]piperidine
SMILES [?]:
Cc1ccc(cc1)OCCCN2CCCCC2
InChi [?]:
InChI=1/C15H23NO/c1-14-6-8-15(9-7-14)17-13-5-12-16-10-3-2-4-11-16/h6-9H,2-5,10-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,10,3,7,4,6,13,17,11,9,2,5,12,8/E:(3,4)(6,7)(8,9)(10,11)/rA:17nCCCCCCCOCCCNCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;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: | 8.85491 |
Area: | 447.952 |
Solvation: | -2.34388 |
Coulombic: | -13.7299 |
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: | 3.45 |
LogP (Chemaxon): | 3.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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