2-azabicyclo[2.2.1]heptan-2-yl-[5-(trifluoromethyl)piperidin-2-yl]methanone

C13H19F3N2O — CID 114908734

IUPAC2-azabicyclo[2.2.1]heptan-2-yl-[5-(trifluoromethyl)piperidin-2-yl]methanone
SMILESO=C(C1CCC(C(F)(F)F)CN1)N1CC2CCC1C2
InChIInChI=1S/C13H19F3N2O/c14-13(15,16)9-2-4-11(17-6-9)12(19)18-7-8-1-3-10(18)5-8/h8-11,17H,1-7H2
InChIKeyJSLOUPCBDGFYOA-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.93
Rot. Bonds1

About 2-azabicyclo[2.2.1]heptan-2-yl-[5-(trifluoromethyl)piperidin-2-yl]methanone

2-azabicyclo[2.2.1]heptan-2-yl-[5-(trifluoromethyl)piperidin-2-yl]methanone (PubChem CID 114908734) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]heptan-2-yl-[5-(trifluoromethyl)piperidin-2-yl]methanone.

Molecular Properties

Compound Name2-azabicyclo[2.2.1]heptan-2-yl-[5-(trifluoromethyl)piperidin-2-yl]methanone
PubChem CID114908734
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name2-azabicyclo[2.2.1]heptan-2-yl-[5-(trifluoromethyl)piperidin-2-yl]methanone
SMILESO=C(C1CCC(C(F)(F)F)CN1)N1CC2CCC1C2
InChIInChI=1S/C13H19F3N2O/c14-13(15,16)9-2-4-11(17-6-9)12(19)18-7-8-1-3-10(18)5-8/h8-11,17H,1-7H2
InChIKeyJSLOUPCBDGFYOA-UHFFFAOYSA-N
XLogP1.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.1]heptan-2-yl-[5-(trifluoromethyl)piperidin-2-yl]methanone?
The IUPAC name of 2-azabicyclo[2.2.1]heptan-2-yl-[5-(trifluoromethyl)piperidin-2-yl]methanone (CID 114908734) is 2-azabicyclo[2.2.1]heptan-2-yl-[5-(trifluoromethyl)piperidin-2-yl]methanone.
What is the SMILES notation for 2-azabicyclo[2.2.1]heptan-2-yl-[5-(trifluoromethyl)piperidin-2-yl]methanone?
The canonical SMILES for 2-azabicyclo[2.2.1]heptan-2-yl-[5-(trifluoromethyl)piperidin-2-yl]methanone is O=C(C1CCC(C(F)(F)F)CN1)N1CC2CCC1C2.
What is the InChIKey of 2-azabicyclo[2.2.1]heptan-2-yl-[5-(trifluoromethyl)piperidin-2-yl]methanone?
The InChIKey is JSLOUPCBDGFYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c14-13(15,16)9-2-4-11(17-6-9)12(19)18-7-8-1-3-10(18)5-8/h8-11,17H,1-7H2.
What are the key properties of 2-azabicyclo[2.2.1]heptan-2-yl-[5-(trifluoromethyl)piperidin-2-yl]methanone?
2-azabicyclo[2.2.1]heptan-2-yl-[5-(trifluoromethyl)piperidin-2-yl]methanone has a molecular weight of 276.30 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.2.1]heptan-2-yl-[5-(trifluoromethyl)piperidin-2-yl]methanone is sourced from PubChem (CID 114908734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).