N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1-azabicyclo[2.2.2]octan-3-amine

C14H24F3N3 — CID 43763557

IUPACN-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1-azabicyclo[2.2.2]octan-3-amine
SMILESFC(F)(F)CN1CCC(NC2CN3CCC2CC3)CC1
InChIInChI=1S/C14H24F3N3/c15-14(16,17)10-20-7-3-12(4-8-20)18-13-9-19-5-1-11(13)2-6-19/h11-13,18H,1-10H2
InChIKeyJSSQAIKWKBVNDY-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.70
Rot. Bonds3

About N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1-azabicyclo[2.2.2]octan-3-amine

N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 43763557) has the molecular formula C14H24F3N3 and a molecular weight of 291.36 g/mol. Its IUPAC name is N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID43763557
Molecular FormulaC14H24F3N3
Molecular Weight291.36 g/mol
Exact Mass291.19
IUPAC NameN-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1-azabicyclo[2.2.2]octan-3-amine
SMILESFC(F)(F)CN1CCC(NC2CN3CCC2CC3)CC1
InChIInChI=1S/C14H24F3N3/c15-14(16,17)10-20-7-3-12(4-8-20)18-13-9-19-5-1-11(13)2-6-19/h11-13,18H,1-10H2
InChIKeyJSSQAIKWKBVNDY-UHFFFAOYSA-N
XLogP1.70
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1-azabicyclo[2.2.2]octan-3-amine (CID 43763557) is N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1-azabicyclo[2.2.2]octan-3-amine is FC(F)(F)CN1CCC(NC2CN3CCC2CC3)CC1.
What is the InChIKey of N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is JSSQAIKWKBVNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3/c15-14(16,17)10-20-7-3-12(4-8-20)18-13-9-19-5-1-11(13)2-6-19/h11-13,18H,1-10H2.
What are the key properties of N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1-azabicyclo[2.2.2]octan-3-amine?
N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 291.36 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 43763557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).