Home Other Building Blocks 2-(piperidin-4-yl)-4-(trifluoromethyl)pyrimidine

2-(piperidin-4-yl)-4-(trifluoromethyl)pyrimidine

CAS No.:
1221278-89-2
Catalog Number:
AG01AG0Z
Molecular Formula:
C10H12F3N3
Molecular Weight:
231.2176
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Product Description
Catalog Number:
AG01AG0Z
Chemical Name:
2-(piperidin-4-yl)-4-(trifluoromethyl)pyrimidine
CAS Number:
1221278-89-2
Molecular Formula:
C10H12F3N3
Molecular Weight:
231.2176
MDL Number:
MFCD14585037
IUPAC Name:
2-piperidin-4-yl-4-(trifluoromethyl)pyrimidine
InChI:
InChI=1S/C10H12F3N3/c11-10(12,13)8-3-6-15-9(16-8)7-1-4-14-5-2-7/h3,6-7,14H,1-2,4-5H2
InChI Key:
YPYPPQVTDZINMA-UHFFFAOYSA-N
SMILES:
FC(c1ccnc(n1)C1CCNCC1)(F)F
Properties
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.098g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
231.222g/mol
Monoisotopic Mass:
231.098g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties