ChemDB: Chemical Search
Download
Chemical ID: 4172087
Chemical ID:
4172087
Name [?]:
1-(o-tolyl)-4-(p-tolylmethyl)piperazine
SMILES [?]:
Cc1ccc(cc1)CN2CCN(CC2)c3ccccc3C
InChi [?]:
InChI=1/C19H24N2/c1-16-7-9-18(10-8-16)15-20-11-13-21(14-12-20)19-6-4-3-5-17(19)2/h3-10H,11-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,18,17,19,16,3,7,4,6,10,14,11,13,8,2,20,5,15,9,12/E:(7,8)(9,10)(11,12)(13,14)/rA:21nCCCCCCCCNCCNCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;s12;s9s13;s12;s15;d16;s17;d18;d15s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24N2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4901 |
Area: | 493.034 |
Solvation: | -1.83581 |
Coulombic: | -13.8387 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 280.407 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.25 |
LogP (Chemaxon): | 4.82 |
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 |
---|