ChemDB: Chemical Search
Download
Chemical ID: 5490434
Chemical ID:
5490434
Name [?]:
1-[4-(2-hydroxy-2-phenyl-ethyl)piperazin-1-yl]ethanone
SMILES [?]:
CC(=O)N1CCN(CC1)CC(c2ccccc2)O
InChi [?]:
InChI=1/C14H20N2O2/c1-12(17)16-9-7-15(8-10-16)11-14(18)13-5-3-2-4-6-13/h2-6,14,18H,7-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,13,17,6,8,5,9,10,2,12,11,7,4,3,18/E:(3,4)(5,6)(7,8)(9,10)/rA:18cCCONCCNCCCCCCCCCCO/rB:s1;d2;s2;s4;s5;s6;s7;s4s8;s7;s10;s11;s12;d13;s14;d15;d12s16;s11;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20N2O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.15683 |
Area: | 446.926 |
Solvation: | -4.01633 |
Coulombic: | -37.2996 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 248.321 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 0.6 |
LogP (Chemaxon): | 0.67 |
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 |
---|