ChemDB: Chemical Search
Download
Chemical ID: 7522304
Chemical ID:
7522304
Name [?]:
1-[2-[2-hydroxy-3-(1-piperidyl)propoxy]phenyl]ethanone
SMILES [?]:
CC(=O)c1ccccc1OCC(CN2CCCCC2)O
InChi [?]:
InChI=1/C16H23NO3/c1-13(18)15-7-3-4-8-16(15)20-12-14(19)11-17-9-5-2-6-10-17/h3-4,7-8,14,19H,2,5-6,9-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,6,7,16,18,5,8,15,19,13,11,2,12,4,9,14,3,20,10/E:(5,6)(9,10)/rA:20cCCOCCCCCCOCCCNCCCCCO/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s14s18;s12;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H23NO3 |
All Atoms: | 43 |
Heavy Atoms: | 20 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 5.40955 |
Area: | 486.403 |
Solvation: | -6.75052 |
Coulombic: | -34.2811 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.82 |
LogP (Chemaxon): | None |
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 |
---|