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Chemical ID: 7116487
Chemical ID:
7116487
Name [?]:
N,N-dimethyl-4-piperazin-1-yl-aniline
SMILES [?]:
CN(C)c1ccc(cc1)N2CCNCC2
InChi [?]:
InChI=1/C12H19N3/c1-14(2)11-3-5-12(6-4-11)15-9-7-13-8-10-15/h3-6,13H,7-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,5,9,6,8,12,14,11,15,4,7,13,2,10/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:15nCNCCCCCCCNCCNCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;s10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H19N3 |
All Atoms: | 34 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.63563 |
Area: | 385.666 |
Solvation: | -2.00602 |
Coulombic: | -21.2157 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 205.299 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.84 |
LogP (Chemaxon): | 2.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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