2-(3-fluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine

C12H16F4N4 — CID 58228053

IUPAC2-(3-fluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
SMILESNCC(c1cnc(C(F)(F)F)nc1)N1CCCC(F)C1
InChIInChI=1S/C12H16F4N4/c13-9-2-1-3-20(7-9)10(4-17)8-5-18-11(19-6-8)12(14,15)16/h5-6,9-10H,1-4,7,17H2
InChIKeyWNALEFMVBZQZBW-UHFFFAOYSA-N
MW292.28 g/mol
LogP1.93
Rot. Bonds3

About 2-(3-fluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine

2-(3-fluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine (PubChem CID 58228053) has the molecular formula C12H16F4N4 and a molecular weight of 292.28 g/mol. Its IUPAC name is 2-(3-fluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name2-(3-fluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
PubChem CID58228053
Molecular FormulaC12H16F4N4
Molecular Weight292.28 g/mol
Exact Mass292.13
IUPAC Name2-(3-fluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
SMILESNCC(c1cnc(C(F)(F)F)nc1)N1CCCC(F)C1
InChIInChI=1S/C12H16F4N4/c13-9-2-1-3-20(7-9)10(4-17)8-5-18-11(19-6-8)12(14,15)16/h5-6,9-10H,1-4,7,17H2
InChIKeyWNALEFMVBZQZBW-UHFFFAOYSA-N
XLogP1.93
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
The IUPAC name of 2-(3-fluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine (CID 58228053) is 2-(3-fluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for 2-(3-fluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
The canonical SMILES for 2-(3-fluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine is NCC(c1cnc(C(F)(F)F)nc1)N1CCCC(F)C1.
What is the InChIKey of 2-(3-fluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
The InChIKey is WNALEFMVBZQZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F4N4/c13-9-2-1-3-20(7-9)10(4-17)8-5-18-11(19-6-8)12(14,15)16/h5-6,9-10H,1-4,7,17H2.
What are the key properties of 2-(3-fluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
2-(3-fluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine has a molecular weight of 292.28 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 58228053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).