1-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridin-2-one

C12H15F3N2O — CID 55171098

IUPAC1-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1CC1CCNCC1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)10-1-2-11(18)17(8-10)7-9-3-5-16-6-4-9/h1-2,8-9,16H,3-7H2
InChIKeyDJCOBXQDOXRGQF-UHFFFAOYSA-N
MW260.26 g/mol
LogP1.87
Rot. Bonds2

About 1-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridin-2-one

1-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridin-2-one (PubChem CID 55171098) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 1-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridin-2-one
PubChem CID55171098
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name1-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1CC1CCNCC1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)10-1-2-11(18)17(8-10)7-9-3-5-16-6-4-9/h1-2,8-9,16H,3-7H2
InChIKeyDJCOBXQDOXRGQF-UHFFFAOYSA-N
XLogP1.87
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridin-2-one (CID 55171098) is 1-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridin-2-one is O=c1ccc(C(F)(F)F)cn1CC1CCNCC1.
What is the InChIKey of 1-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is DJCOBXQDOXRGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c13-12(14,15)10-1-2-11(18)17(8-10)7-9-3-5-16-6-4-9/h1-2,8-9,16H,3-7H2.
What are the key properties of 1-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridin-2-one?
1-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 260.26 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 55171098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).