4-Piperidinecarboxylic acid, 1-[4-(trifluoromethyl)-2-pyrimidinyl]-


Chemical Name: 4-Piperidinecarboxylic acid, 1-[4-(trifluoromethyl)-2-pyrimidinyl]-
CAS Number: 465514-39-0
Product Number: AG00D8W2(AGN-PC-0KKYHG)
Synonyms:
MDL No:
Molecular Formula: C11H12F3N3O2
Molecular Weight: 275.2270896

Identification/Properties


Computed Properties
Molecular Weight:
275.231g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
2
Exact Mass:
275.088g/mol
Monoisotopic Mass:
275.088g/mol
Topological Polar Surface Area:
66.3A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
330
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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