1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-one

C11H11F3N2O — CID 11959632

IUPAC1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-one
SMILESO=C1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)8-1-2-10(15-7-8)16-5-3-9(17)4-6-16/h1-2,7H,3-6H2
InChIKeyLOHTXPUVNLEEKQ-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.27
Rot. Bonds1

About 1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-one

1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-one (PubChem CID 11959632) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-one.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-one
PubChem CID11959632
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-one
SMILESO=C1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)8-1-2-10(15-7-8)16-5-3-9(17)4-6-16/h1-2,7H,3-6H2
InChIKeyLOHTXPUVNLEEKQ-UHFFFAOYSA-N
XLogP2.27
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(Trifluoromethyl)pyridin-2-yl]piperazine
CID 2777786
Org-13011
CID 9907401
1-(3-Cyanopyridin-2-yl)piperidine-4-carboxamide
CID 2813162
1-(3-Fluoropyridin-2-yl)-4-methylpiperazine
CID 13298530
1-[5-(Trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide
CID 2821933
Ethyl 4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate
CID 2928555
2-Amino-3-(trifluoromethyl)pyridine
CID 2760920
1-(5-Trifluoromethyl-pyridin-2-yl)-piperazine
CID 667618
1-Benzyl-4-(3-(trifluoromethyl)-pyridin-2-yl)piperazine
CID 44237013
1-[4-(Trifluoromethyl)pyridin-2-yl]piperazine
CID 11218492
N-tert-butyl-4-[3-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarboxamide
CID 2741632
11-Cyclopropyldipyrido[2,3-b:3',2'-f]azepine
CID 470618

Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-one?
The IUPAC name of 1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-one (CID 11959632) is 1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-one.
What is the SMILES notation for 1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-one?
The canonical SMILES for 1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-one is O=C1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-one?
The InChIKey is LOHTXPUVNLEEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c12-11(13,14)8-1-2-10(15-7-8)16-5-3-9(17)4-6-16/h1-2,7H,3-6H2.
What are the key properties of 1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-one?
1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-one has a molecular weight of 244.22 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-one is sourced from PubChem (CID 11959632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).