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Chemical ID: 7508975
Chemical ID:
7508975
Name [?]:
2-[4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-yl]ethanol
SMILES [?]:
CCOc1cc(ccc1OC)CN2CCN(CC2)CCO
InChi [?]:
InChI=1/C16H26N2O3/c1-3-21-16-12-14(4-5-15(16)20-2)13-18-8-6-17(7-9-18)10-11-19/h4-5,12,19H,3,6-11,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,2,7,8,15,17,14,18,19,20,5,12,6,9,4,16,13,21,10,3/E:(6,7)(8,9)/rA:21nCCOCCCCCCOCCNCCNCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s6;s12;s13;s14;s15;s16;s13s17;s16;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H26N2O3 |
All Atoms: | 47 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.1616 |
Area: | 512.775 |
Solvation: | -6.65777 |
Coulombic: | -39.7394 |
Bond Count [?]
All: | 22 |
Single: | 19 |
Double: | 3 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 0.69 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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