Chemical ID: 3968352

CN1CCN(CC1)c2ccc3ccccc3n2
Chemical ID:
3968352
Name [?]:
2-(4-methylpiperazin-1-yl)quinoline
SMILES [?]:
CN1CCN(CC1)c2ccc3ccccc3n2
InChi [?]:
InChI=1/C14H17N3/c1-16-8-10-17(11-9-16)14-7-6-12-4-2-3-5-13(12)15-14/h2-7H,8-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,14,12,15,10,9,3,7,4,6,11,16,8,17,2,5/E:(8,9)(10,11)/rA:17nCNCCNCCCCCCCCCCCN/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s10;s11;d12;s13;d14;d11s15;d8s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H17N3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.09295
Area:400.428
Solvation:-1.91776
Coulombic:-18.1478
Bond Count [?]
All:19
Single:14
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:227.305
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.7
LogP (Chemaxon):2.9

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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