ChemDB: Chemical Search
Download
Chemical ID: 4285569
Chemical ID:
4285569
Name [?]:
1-[5-(2-chlorophenoxy)pentyl]piperidine
SMILES [?]:
c1ccc(c(c1)OCCCCCN2CCCCC2)Cl
InChi [?]:
InChI=1/C16H24ClNO/c17-15-9-3-4-10-16(15)19-14-8-2-7-13-18-11-5-1-6-12-18/h3-4,9-10H,1-2,5-8,11-14H2
InChi Info:
AuxInfo=1/0/N:16,10,2,1,15,17,11,9,3,6,14,18,12,8,4,5,19,13,7/E:(5,6)(11,12)/rA:19nCCCCCCOCCCCCNCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s13s17;s4;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H24ClNO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3417 |
Area: | 512.405 |
Solvation: | -2.46843 |
Coulombic: | -14.9172 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 281.821 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.35 |
LogP (Chemaxon): | 3.91 |
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 |
---|