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Chemical ID: 7120338
Chemical ID:
7120338
Name [?]:
2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine
SMILES [?]:
COc1ccc(cc1)N2CCN(CC2)CCN
InChi [?]:
InChI=1/C13H21N3O/c1-17-13-4-2-12(3-5-13)16-10-8-15(7-6-14)9-11-16/h2-5H,6-11,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,7,4,8,16,15,11,13,10,14,6,3,17,12,9,2/E:(2,3)(4,5)(8,9)(10,11)/rA:17nCOCCCCCCNCCNCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s9s13;s12;s15;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H21N3O |
All Atoms: | 38 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.54935 |
Area: | 429.684 |
Solvation: | -3.19276 |
Coulombic: | -30.6658 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 235.325 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.01 |
LogP (Chemaxon): | 1.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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