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

C10H10F3N3O — CID 171493274

IUPAC1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-one
SMILESO=C1CCN(c2ncc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C10H10F3N3O/c11-10(12,13)7-5-14-9(15-6-7)16-3-1-8(17)2-4-16/h5-6H,1-4H2
InChIKeyBSXYRLMPOBOLKU-UHFFFAOYSA-N
MW245.20 g/mol
LogP1.66
Rot. Bonds1

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

1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-one (PubChem CID 171493274) has the molecular formula C10H10F3N3O and a molecular weight of 245.20 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-one.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-one
PubChem CID171493274
Molecular FormulaC10H10F3N3O
Molecular Weight245.20 g/mol
Exact Mass245.08
IUPAC Name1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-one
SMILESO=C1CCN(c2ncc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C10H10F3N3O/c11-10(12,13)7-5-14-9(15-6-7)16-3-1-8(17)2-4-16/h5-6H,1-4H2
InChIKeyBSXYRLMPOBOLKU-UHFFFAOYSA-N
XLogP1.66
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-one?
The IUPAC name of 1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-one (CID 171493274) is 1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-one.
What is the SMILES notation for 1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-one?
The canonical SMILES for 1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-one is O=C1CCN(c2ncc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-one?
The InChIKey is BSXYRLMPOBOLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O/c11-10(12,13)7-5-14-9(15-6-7)16-3-1-8(17)2-4-16/h5-6H,1-4H2.
What are the key properties of 1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-one?
1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-one has a molecular weight of 245.20 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-one is sourced from PubChem (CID 171493274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).