Chemical ID: 4562537

c1cc(cnc1)C2CCCCN2CN3CCCCC3c4cccnc4
Chemical ID:
4562537
Name [?]:
3-[1-[[2-(3-pyridyl)-1-piperidyl]methyl]-2-piperidyl]pyridine
SMILES [?]:
c1cc(cnc1)C2CCCCN2CN3CCCCC3c4cccnc4
InChi [?]:
InChI=1/C21H28N4/c1-3-13-24(20(9-1)18-7-5-11-22-15-18)17-25-14-4-2-10-21(25)19-8-6-12-23-16-19/h5-8,11-12,15-16,20-21H,1-4,9-10,13-14,17H2
InChi Info:
AuxInfo=1/0/N:9,17,10,16,1,22,2,21,8,18,6,23,11,15,4,25,13,3,20,7,19,5,24,12,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(18,19)(20,21)(22,23)(24,25)/rA:25cCCCCNCCCCCCNCNCCCCCCCCCNC/rB:s1;d2;s3;d4;d1s5;s3;s7;s8;s9;s10;s7s11;s12;s13;s14;s15;s16;s17;s14s18;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H28N4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:4
ZAP Information [?]
Total:9.30422
Area:476.46
Solvation:-2.60727
Coulombic:-20.3477
Bond Count [?]
All:28
Single:22
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:336.474
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.9
LogP (Chemaxon):3.02

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