ChemDB: Chemical Search
Download
Chemical ID: 6725720
Chemical ID:
6725720
Name [?]:
1-[(2-ethoxyphenyl)methyl]-4-(3,4,5,6-tetrahydro-2H-pyridin-1-yl)-3,4,5,6-tetrahydro-2H-pyridine
SMILES [?]:
CCOc1ccccc1C[NH+]2CCC(CC2)[NH+]3CCCCC3
InChi [?]:
InChI=1/C19H30N2O/c1-2-22-19-9-5-4-8-17(19)16-20-14-10-18(11-15-20)21-12-6-3-7-13-21/h4-5,8-9,18H,2-3,6-7,10-16H2,1H3/p+2
InChi Info:
AuxInfo=1/1/N:1,2,20,7,6,19,21,8,5,13,15,18,22,12,16,10,9,14,4,11,17,3/E:(6,7)(10,11)(12,13)(14,15)/rA:22nCCOCCCCCCCN+CCCCCN+CCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s14;s11s15;s14;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H32N2O+2 |
All Atoms: | 54 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -77.2552 |
Area: | 507.953 |
Solvation: | -89.954 |
Coulombic: | 82.4087 |
Bond Count [?]
All: | 24 |
Single: | 21 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 304.47 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.37 |
LogP (Chemaxon): | 2.72 |
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 |
---|