ChemDB: Chemical Search
Download
Chemical ID: 6720227
Chemical ID:
6720227
Name [?]:
1-[1-[(4-ethoxyphenyl)methyl]-3,4,5,6-tetrahydro-2H-pyridin-4-yl]-4-methyl-2,3,5,6-tetrahydropyrazine
SMILES [?]:
CCOc1ccc(cc1)C[NH+]2CCC(CC2)[NH+]3CC[NH+](CC3)C
InChi [?]:
InChI=1/C19H31N3O/c1-3-23-19-6-4-17(5-7-19)16-21-10-8-18(9-11-21)22-14-12-20(2)13-15-22/h4-7,18H,3,8-16H2,1-2H3/p+3
InChi Info:
AuxInfo=1/1/N:1,23,2,6,8,5,9,13,15,12,16,19,21,18,22,10,7,14,4,20,11,17,3/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:23nCCOCCCCCCCN+CCCCCN+CCN+CCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;s14;s11s15;s14;s17;s18;s19;s20;s17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H34N3O+3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -181.08 |
Area: | 543.077 |
Solvation: | -194.657 |
Coulombic: | 198.033 |
Bond Count [?]
All: | 25 |
Single: | 22 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 320.493 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 2.15 |
LogP (Chemaxon): | 1.8 |
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 |
---|