ChemDB: Chemical Search
Download
Chemical ID: 4285588
Chemical ID:
4285588
Name [?]:
1-[6-(2-methoxyphenoxy)hexyl]piperidine
SMILES [?]:
COc1ccccc1OCCCCCCN2CCCCC2
InChi [?]:
InChI=1/C18H29NO2/c1-20-17-11-5-6-12-18(17)21-16-10-3-2-7-13-19-14-8-4-9-15-19/h5-6,11-12H,2-4,7-10,13-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,19,5,6,14,18,20,11,4,7,15,17,21,10,3,8,16,2,9/E:(8,9)(14,15)/rA:21nCOCCCCCCOCCCCCCNCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H29NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.08672 |
Area: | 542.041 |
Solvation: | -4.46431 |
Coulombic: | -21.1296 |
Bond Count [?]
All: | 22 |
Single: | 19 |
Double: | 3 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 291.428 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.73 |
LogP (Chemaxon): | 3.54 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|