ChemDB: Chemical Search
Download
Chemical ID: 4173889
Chemical ID:
4173889
Name [?]:
1-[5-(3-methylphenoxy)pentyl]piperidine
SMILES [?]:
Cc1cccc(c1)OCCCCCN2CCCCC2
InChi [?]:
InChI=1/C17H27NO/c1-16-9-8-10-17(15-16)19-14-7-3-6-13-18-11-4-2-5-12-18/h8-10,15H,2-7,11-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,11,16,18,12,10,4,3,5,15,19,13,9,7,2,6,14,8/E:(4,5)(11,12)/rA:19nCCCCCCCOCCCCCNCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H27NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1423 |
Area: | 500.011 |
Solvation: | -2.35796 |
Coulombic: | -14.3569 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 261.402 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.16 |
LogP (Chemaxon): | 3.86 |
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 |
---|