Home Halogens 1-(3-bromobenzyl)piperidin-4-ol

1-(3-bromobenzyl)piperidin-4-ol

CAS No.:
184921-06-0
Catalog Number:
AG01DZ4I
Molecular Formula:
C12H16BrNO
Molecular Weight:
270.1655
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Product Description
Catalog Number:
AG01DZ4I
Chemical Name:
1-(3-bromobenzyl)piperidin-4-ol
CAS Number:
184921-06-0
Molecular Formula:
C12H16BrNO
Molecular Weight:
270.1655
MDL Number:
MFCD00977077
IUPAC Name:
1-[(3-bromophenyl)methyl]piperidin-4-ol
InChI:
InChI=1S/C12H16BrNO/c13-11-3-1-2-10(8-11)9-14-6-4-12(15)5-7-14/h1-3,8,12,15H,4-7,9H2
InChI Key:
GYEDHELORMIYNA-UHFFFAOYSA-N
SMILES:
OC1CCN(CC1)Cc1cccc(c1)Br
Properties
Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.042g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
270.17g/mol
Monoisotopic Mass:
269.042g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties