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Chemical ID: 7042783
Chemical ID:
7042783
Name [?]:
1-(3-methylphenoxy)-3-(4-methylpiperazin-1-yl)-propan-2-ol
SMILES [?]:
Cc1cccc(c1)OCC(CN2CCN(CC2)C)O
InChi [?]:
InChI=1/C15H24N2O2/c1-13-4-3-5-15(10-13)19-12-14(18)11-17-8-6-16(2)7-9-17/h3-5,10,14,18H,6-9,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,4,3,5,14,16,13,17,7,11,9,2,10,6,15,12,19,8/E:(6,7)(8,9)/rA:19cCCCCCCCOCCCNCCNCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;s15;s10;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H24N2O2 |
All Atoms: | 43 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.12937 |
Area: | 478.919 |
Solvation: | -4.8436 |
Coulombic: | -33.554 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 264.363 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.2 |
LogP (Chemaxon): | 1.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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