ChemDB: Chemical Search
Download
Chemical ID: 3959277
Chemical ID:
3959277
Name [?]:
isopropyl 2-(4-cyclohexylpiperazin-1-yl)acetate
SMILES [?]:
CC(C)OC(=O)CN1CCN(CC1)C2CCCCC2
InChi [?]:
InChI=1/C15H28N2O2/c1-13(2)19-15(18)12-16-8-10-17(11-9-16)14-6-4-3-5-7-14/h13-14H,3-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,17,16,18,15,19,9,13,10,12,7,2,14,5,8,11,6,4/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:19nCCCOCOCNCCNCCCCCCCC/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;s10;s11;s8s12;s11;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H28N2O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.55059 |
Area: | 478.092 |
Solvation: | -2.40172 |
Coulombic: | -29.223 |
Bond Count [?]
All: | 20 |
Single: | 19 |
Double: | 1 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 268.395 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.12 |
LogP (Chemaxon): | 1.87 |
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 |
---|