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Chemical ID: 4227480
Chemical ID:
4227480
Name [?]:
1-(4-isopropylpiperazin-1-yl)-2-phenoxy-ethanone
SMILES [?]:
CC(C)N1CCN(CC1)C(=O)COc2ccccc2
InChi [?]:
InChI=1/C15H22N2O2/c1-13(2)16-8-10-17(11-9-16)15(18)12-19-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,17,16,18,15,19,5,9,6,8,12,2,14,10,4,7,11,13/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:19nCCCNCCNCCCOCOCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s4s8;s7;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22N2O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.50818 |
Area: | 465.994 |
Solvation: | -4.14166 |
Coulombic: | -29.0096 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 262.347 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.78 |
LogP (Chemaxon): | 1.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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