Chemical ID: 7174657

C[NH+]1CC[NH+](CC1)C2CC[NH+](CC2)Cc3ccncc3
Chemical ID:
7174657
Name [?]:
1-methyl-4-[1-(4-pyridylmethyl)-3,4,5,6-tetrahydro-2H-pyridin-4-yl]-2,3,5,6-tetrahydropyrazine
SMILES [?]:
C[NH+]1CC[NH+](CC1)C2CC[NH+](CC2)Cc3ccncc3
InChi [?]:
InChI=1/C16H26N4/c1-18-10-12-20(13-11-18)16-4-8-19(9-5-16)14-15-2-6-17-7-3-15/h2-3,6-7,16H,4-5,8-14H2,1H3/p+3
InChi Info:
AuxInfo=1/1/N:1,16,20,9,13,17,19,10,12,3,7,4,6,14,15,8,18,2,11,5/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:20nCN+CCN+CCCCCN+CCCCCCNCC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;s11;s8s12;s11;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H29N4+3
All Atoms:49
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-182.321
Area:474.595
Solvation:-194.186
Coulombic:202.388
Bond Count [?]
All:22
Single:19
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:277.428
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:0.56
LogP (Chemaxon):0.4

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue