1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylic acid

1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylic acid

CAS: 406476-31-1

Formula: C12H13F3N2O2

SMILES: OC(=O)C1CCN(CC1)C1=NC=C(C=C1)C(F)(F)F

IUPAC: 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylic acid

InChI: InChI=1S/C12H13F3N2O2/c13-12(14,15)9-1-2-10(16-7-9)17-5-3-8(4-6-17)11(18)19/h1-2,7-8H,3-6H2,(H,18,19)

Composition: C (52.56%), H (4.78%), F (20.78%), N (10.22%), O (11.67%)

Molar Mass: 274.243

Atom Count: 32

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	274.092912156
Formal Charge	0
FSP3	0.5
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	KNDSIDUPVUCATQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63
Topological Polar Surface Area	53.43
Polarizability	22.71
Ring Count	2
Rotatable Bond Count	3

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