Chemical ID: 7042818

CC1(CCCC(N1CC(COc2ccccc2Br)O)(C)C)C
Chemical ID:
7042818
Name [?]:
1-(2-bromophenoxy)-3-(2,2,6,6-tetramethyl-1-piperidyl)-propan-2-ol
SMILES [?]:
CC1(CCCC(N1CC(COc2ccccc2Br)O)(C)C)C
InChi [?]:
InChI=1/C18H28BrNO2/c1-17(2)10-7-11-18(3,4)20(17)12-14(21)13-22-16-9-6-5-8-15(16)19/h5-6,8-9,14,21H,7,10-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,22,20,21,15,14,4,16,13,3,5,8,10,9,17,12,2,6,18,7,19,11/E:(1,2,3,4)(10,11)(17,18)/rA:22cCCCCCCNCCCOCCCCCCBrOCCC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s9;s6;s6;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H28BrNO2
All Atoms:50
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:8.61436
Area:517.083
Solvation:-4.31273
Coulombic:-29.8295
Bond Count [?]
All:23
Single:20
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:370.324
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.53
LogP (Chemaxon):3.9

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