Chemical ID: 6450470

c1cc(ncc1C(=O)N2CCOCC2)N3CCN(CC3)CCO
Chemical ID:
6450470
Name [?]:
[6-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridyl]-morpholino-methanone
SMILES [?]:
c1cc(ncc1C(=O)N2CCOCC2)N3CCN(CC3)CCO
InChi [?]:
InChI=1/C16H24N4O3/c21-10-7-18-3-5-19(6-4-18)15-2-1-14(13-17-15)16(22)20-8-11-23-12-9-20/h1-2,13,21H,3-12H2
InChi Info:
AuxInfo=1/0/N:1,2,17,19,16,20,21,10,14,22,11,13,5,6,3,7,4,18,15,9,23,8,12/E:(3,4)(5,6)(8,9)(11,12)/rA:23nCCCNCCCONCCOCCNCCNCCCCO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s12;s9s13;s3;s15;s16;s17;s18;s15s19;s18;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H24N4O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:7.03674
Area:520.07
Solvation:-5.96502
Coulombic:-56.2333
Bond Count [?]
All:25
Single:21
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:320.387
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:-0.21
LogP (Chemaxon):-0.14

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