ChemDB: Chemical Search
Download
Chemical ID: 6430324
Chemical ID:
6430324
Name [?]:
1-(2,6-dimethyl-1-piperidyl)-3-(4-isopropylphenoxy)-propan-2-ol
SMILES [?]:
CC1CCCC(N1CC(COc2ccc(cc2)C(C)C)O)C
InChi [?]:
InChI=1/C19H31NO2/c1-14(2)17-8-10-19(11-9-17)22-13-18(21)12-20-15(3)6-5-7-16(20)4/h8-11,14-16,18,21H,5-7,12-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:19,20,1,22,4,3,5,14,16,13,17,8,10,18,2,6,15,9,12,7,21,11/E:(1,2)(3,4)(6,7)(8,9)(10,11)(15,16)/rA:22cCCCCCCNCCCOCCCCCCCCCOC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;s18;s18;s9;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H31NO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 8.95697 |
Area: | 531.491 |
Solvation: | -4.33031 |
Coulombic: | -30.2 |
Bond Count [?]
All: | 23 |
Single: | 20 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 305.455 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.31 |
LogP (Chemaxon): | 4.14 |
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 |
---|