Chemical ID: 7120338

COc1ccc(cc1)N2CCN(CC2)CCN
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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