Chemical ID: 4227480

CC(C)N1CCN(CC1)C(=O)COc2ccccc2
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

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Descriptor Annotations

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