ChemDB: Chemical Search
Download
Chemical ID: 4121956
Chemical ID:
4121956
Name [?]:
1-(2-methylcyclohexyl)piperazine
SMILES [?]:
CC1CCCCC1N2CCNCC2
InChi [?]:
InChI=1/C11H22N2/c1-10-4-2-3-5-11(10)13-8-6-12-7-9-13/h10-12H,2-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,3,6,10,12,9,13,2,7,11,8/E:(6,7)(8,9)/rA:13cCCCCCCCNCCNCC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;s10;s11;s8s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H22N2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.60754 |
Area: | 341.254 |
Solvation: | -0.923817 |
Coulombic: | -14.4097 |
Bond Count [?]
All: | 14 |
Single: | 14 |
Double: | 0 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 182.306 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.59 |
LogP (Chemaxon): | 1.58 |
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 |
---|