Home Other Building Blocks 2,2,2-trifluoro-1-[3-(piperidin-4-yl)piperidin-1-yl]ethan-1-one hydrochloride

2,2,2-trifluoro-1-[3-(piperidin-4-yl)piperidin-1-yl]ethan-1-one hydrochloride

CAS No.:
1955554-12-7
Catalog Number:
AG01B2NE
Molecular Formula:
C12H20ClF3N2O
Molecular Weight:
300.7482
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Product Description
Catalog Number:
AG01B2NE
Chemical Name:
2,2,2-trifluoro-1-[3-(piperidin-4-yl)piperidin-1-yl]ethan-1-one hydrochloride
CAS Number:
1955554-12-7
Molecular Formula:
C12H20ClF3N2O
Molecular Weight:
300.7482
MDL Number:
MFCD29991682
IUPAC Name:
2,2,2-trifluoro-1-(3-piperidin-4-ylpiperidin-1-yl)ethanone;hydrochloride
InChI:
InChI=1S/C12H19F3N2O.ClH/c13-12(14,15)11(18)17-7-1-2-10(8-17)9-3-5-16-6-4-9;/h9-10,16H,1-8H2;1H
InChI Key:
UVXMLDYEHCFYFY-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)N1CCCC(C1)C1CCNCC1.Cl
Properties
Complexity:
300  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.122g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
300.75g/mol
Monoisotopic Mass:
300.122g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties