ChemDB: Chemical Search
Download
Chemical ID: 7117422
Chemical ID:
7117422
Name [?]:
2-(4-isopropylpiperazin-1-yl)ethanol
SMILES [?]:
CC(C)N1CCN(CC1)CCO
InChi [?]:
InChI=1/C9H20N2O/c1-9(2)11-5-3-10(4-6-11)7-8-12/h9,12H,3-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,6,8,5,9,10,11,2,7,4,12/E:(1,2)(3,4)(5,6)/rA:12nCCCNCCNCCCCO/rB:s1;s2;s2;s4;s5;s6;s7;s4s8;s7;s10;s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H20N2O |
All Atoms: | 32 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.83157 |
Area: | 348.54 |
Solvation: | -2.88192 |
Coulombic: | -25.4477 |
Bond Count [?]
All: | 12 |
Single: | 12 |
Double: | 0 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 172.268 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | -0.12 |
LogP (Chemaxon): | 0.27 |
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 |
---|