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Chemical ID: 6450470
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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