ChemDB: Chemical Search
Download
Chemical ID: 5103981
Chemical ID:
5103981
Name [?]:
1-(4-methoxyphenyl)-2-piperazin-1-yl-ethanol
SMILES [?]:
COc1ccc(cc1)C(CN2CCNCC2)O
InChi [?]:
InChI=1/C13H20N2O2/c1-17-12-4-2-11(3-5-12)13(16)10-15-8-6-14-7-9-15/h2-5,13-14,16H,6-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,7,4,8,13,15,12,16,10,6,3,9,14,11,17,2/E:(2,3)(4,5)(6,7)(8,9)/rA:17cCOCCCCCCCCNCCNCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;s14;s11s15;s9;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H20N2O2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.42593 |
Area: | 429.284 |
Solvation: | -4.30617 |
Coulombic: | -37.5557 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 236.31 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 0.49 |
LogP (Chemaxon): | 0.75 |
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 |
---|