Home Halogens 1-[3-(bromomethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[3-(bromomethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one

CAS No.:
1082786-50-2
Catalog Number:
AG01AMC7
Molecular Formula:
C11H20BrNO
Molecular Weight:
262.1866
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Product Description
Catalog Number:
AG01AMC7
Chemical Name:
1-[3-(bromomethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CAS Number:
1082786-50-2
Molecular Formula:
C11H20BrNO
Molecular Weight:
262.1866
MDL Number:
MFCD11612805
IUPAC Name:
1-[3-(bromomethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
InChI:
InChI=1S/C11H20BrNO/c1-11(2,3)10(14)13-6-4-5-9(7-12)8-13/h9H,4-8H2,1-3H3
InChI Key:
SMAYVAMSOFARES-UHFFFAOYSA-N
SMILES:
BrCC1CCCN(C1)C(=O)C(C)(C)C
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.073g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.191g/mol
Monoisotopic Mass:
261.073g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties