ethyl 1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylate

ethyl 1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylate

CAS: 832740-03-1

Formula: C14H18F3N3O2

SMILES: CCOC(=O)C1CCN(CC1)C1=NC(C)=CC(=N1)C(F)(F)F

IUPAC: ethyl 1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylate

InChI: InChI=1S/C14H18F3N3O2/c1-3-22-12(21)10-4-6-20(7-5-10)13-18-9(2)8-11(19-13)14(15,16)17/h8,10H,3-7H2,1-2H3

Composition: C (52.99%), H (5.72%), F (17.96%), N (13.24%), O (10.08%)

Molar Mass: 317.312

Atom Count: 40

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	317.135111321
Formal Charge	0
FSP3	0.64
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	UNTBKILIVMRBBY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	75.19
Topological Polar Surface Area	55.32
Polarizability	27.47
Ring Count	2
Rotatable Bond Count	5

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