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Chemical ID: 6419980
Chemical ID:
6419980
Name [?]:
2-piperazin-1-yl-N-(4-pyridylmethyl)ethanamine
SMILES [?]:
c1cnccc1CNCCN2CCNCC2
InChi [?]:
InChI=1/C12H20N4/c1-3-13-4-2-12(1)11-15-7-10-16-8-5-14-6-9-16/h1-4,14-15H,5-11H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,13,15,9,12,16,10,7,6,3,14,8,11/E:(1,2)(3,4)(5,6)(8,9)/rA:16nCCNCCCCNCCNCCNCC/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H20N4 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.15827 |
Area: | 427.776 |
Solvation: | -2.53613 |
Coulombic: | -26.3584 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 220.314 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | -0.46 |
LogP (Chemaxon): | -0.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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