ChemDB: Chemical Search
Download
Chemical ID: 4179591
Chemical ID:
4179591
Name [?]:
1-[2-(2,4-dichlorophenoxy)ethyl]piperidine
SMILES [?]:
c1cc(c(cc1Cl)Cl)OCCN2CCCCC2
InChi [?]:
InChI=1/C13H17Cl2NO/c14-11-4-5-13(12(15)10-11)17-9-8-16-6-2-1-3-7-16/h4-5,10H,1-3,6-9H2
InChi Info:
AuxInfo=1/0/N:15,14,16,1,2,13,17,11,10,5,6,4,3,7,8,12,9/E:(2,3)(6,7)/rA:17nCCCCCCClClOCCNCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;s10;s11;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H17Cl2NO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.62821 |
Area: | 464.278 |
Solvation: | -2.97875 |
Coulombic: | -13.26 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 274.186 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.9 |
LogP (Chemaxon): | 3.53 |
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 |
---|