ChemDB: Chemical Search
Download
Chemical ID: 5533224
Chemical ID:
5533224
Name [?]:
1-(4-isopropyl-3-methyl-phenoxy)-3-(2-methyl-1-piperidyl)-propan-2-ol
SMILES [?]:
Cc1cc(ccc1C(C)C)OCC(CN2CCCCC2C)O
InChi [?]:
InChI=1/C19H31NO2/c1-14(2)19-9-8-18(11-15(19)3)22-13-17(21)12-20-10-6-5-7-16(20)4/h8-9,11,14,16-17,21H,5-7,10,12-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:9,10,1,21,18,17,19,5,6,16,3,14,12,8,2,20,13,4,7,15,22,11/E:(1,2)/rA:22cCCCCCCCCCCOCCCNCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s8;s4;s11;s12;s13;s14;s15;s16;s17;s18;s15s19;s20;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H31NO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 9.06439 |
Area: | 537.976 |
Solvation: | -4.38501 |
Coulombic: | -29.8782 |
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: | 4.28 |
LogP (Chemaxon): | 4.2 |
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 |
---|