piperidine;5-(trifluoromethyl)-1H-pyridin-2-one

C11H15F3N2O — CID 171654744

IUPACpiperidine;5-(trifluoromethyl)-1H-pyridin-2-one
SMILESC1CCNCC1.O=c1ccc(C(F)(F)F)c[nH]1
InChIInChI=1S/C6H4F3NO.C5H11N/c7-6(8,9)4-1-2-5(11)10-3-4;1-2-4-6-5-3-1/h1-3H,(H,10,11);6H,1-5H2
InChIKeyBDAVGFSBQIVMKE-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.15
Rot. Bonds

About piperidine;5-(trifluoromethyl)-1H-pyridin-2-one

piperidine;5-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 171654744) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is piperidine;5-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Namepiperidine;5-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID171654744
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Namepiperidine;5-(trifluoromethyl)-1H-pyridin-2-one
SMILESC1CCNCC1.O=c1ccc(C(F)(F)F)c[nH]1
InChIInChI=1S/C6H4F3NO.C5H11N/c7-6(8,9)4-1-2-5(11)10-3-4;1-2-4-6-5-3-1/h1-3H,(H,10,11);6H,1-5H2
InChIKeyBDAVGFSBQIVMKE-UHFFFAOYSA-N
XLogP2.15
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of piperidine;5-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of piperidine;5-(trifluoromethyl)-1H-pyridin-2-one (CID 171654744) is piperidine;5-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for piperidine;5-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for piperidine;5-(trifluoromethyl)-1H-pyridin-2-one is C1CCNCC1.O=c1ccc(C(F)(F)F)c[nH]1.
What is the InChIKey of piperidine;5-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is BDAVGFSBQIVMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO.C5H11N/c7-6(8,9)4-1-2-5(11)10-3-4;1-2-4-6-5-3-1/h1-3H,(H,10,11);6H,1-5H2.
What are the key properties of piperidine;5-(trifluoromethyl)-1H-pyridin-2-one?
piperidine;5-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 248.25 g/mol, XLogP of 2.15, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine;5-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 171654744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).