Chemical ID: 5011766

COc1ccc(cc1C2CCCCN2)Br
Chemical ID:
5011766
Name [?]:
2-(5-bromo-2-methoxy-phenyl)piperidine
SMILES [?]:
COc1ccc(cc1C2CCCCN2)Br
InChi [?]:
InChI=1/C12H16BrNO/c1-15-12-6-5-9(13)8-10(12)11-4-2-3-7-14-11/h5-6,8,11,14H,2-4,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,12,10,5,4,13,7,6,8,9,3,15,14,2/rA:15cCOCCCCCCCCCCCNBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;s9s13;s6;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16BrNO
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:7.94154
Area:392.061
Solvation:-1.85999
Coulombic:-17.4956
Bond Count [?]
All:16
Single:13
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:270.166
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.21
LogP (Chemaxon):2.9

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