2-(1-pyridin-4-ylpiperidin-4-yl)ethanamine;2,2,2-trifluoroacetic acid

C14H20F3N3O2 — CID 69158461

IUPAC2-(1-pyridin-4-ylpiperidin-4-yl)ethanamine;2,2,2-trifluoroacetic acid
SMILESNCCC1CCN(c2ccncc2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H19N3.C2HF3O2/c13-6-1-11-4-9-15(10-5-11)12-2-7-14-8-3-12;3-2(4,5)1(6)7/h2-3,7-8,11H,1,4-6,9-10,13H2;(H,6,7)
InChIKeyCLPACMGMXNDERV-UHFFFAOYSA-N
MW319.33 g/mol
LogP2.28
Rot. Bonds3

About 2-(1-pyridin-4-ylpiperidin-4-yl)ethanamine;2,2,2-trifluoroacetic acid

2-(1-pyridin-4-ylpiperidin-4-yl)ethanamine;2,2,2-trifluoroacetic acid (PubChem CID 69158461) has the molecular formula C14H20F3N3O2 and a molecular weight of 319.33 g/mol. Its IUPAC name is 2-(1-pyridin-4-ylpiperidin-4-yl)ethanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(1-pyridin-4-ylpiperidin-4-yl)ethanamine;2,2,2-trifluoroacetic acid
PubChem CID69158461
Molecular FormulaC14H20F3N3O2
Molecular Weight319.33 g/mol
Exact Mass319.15
IUPAC Name2-(1-pyridin-4-ylpiperidin-4-yl)ethanamine;2,2,2-trifluoroacetic acid
SMILESNCCC1CCN(c2ccncc2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H19N3.C2HF3O2/c13-6-1-11-4-9-15(10-5-11)12-2-7-14-8-3-12;3-2(4,5)1(6)7/h2-3,7-8,11H,1,4-6,9-10,13H2;(H,6,7)
InChIKeyCLPACMGMXNDERV-UHFFFAOYSA-N
XLogP2.28
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-pyridin-4-ylpiperidin-4-yl)ethanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(1-pyridin-4-ylpiperidin-4-yl)ethanamine;2,2,2-trifluoroacetic acid (CID 69158461) is 2-(1-pyridin-4-ylpiperidin-4-yl)ethanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(1-pyridin-4-ylpiperidin-4-yl)ethanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(1-pyridin-4-ylpiperidin-4-yl)ethanamine;2,2,2-trifluoroacetic acid is NCCC1CCN(c2ccncc2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(1-pyridin-4-ylpiperidin-4-yl)ethanamine;2,2,2-trifluoroacetic acid?
The InChIKey is CLPACMGMXNDERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3.C2HF3O2/c13-6-1-11-4-9-15(10-5-11)12-2-7-14-8-3-12;3-2(4,5)1(6)7/h2-3,7-8,11H,1,4-6,9-10,13H2;(H,6,7).
What are the key properties of 2-(1-pyridin-4-ylpiperidin-4-yl)ethanamine;2,2,2-trifluoroacetic acid?
2-(1-pyridin-4-ylpiperidin-4-yl)ethanamine;2,2,2-trifluoroacetic acid has a molecular weight of 319.33 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyridin-4-ylpiperidin-4-yl)ethanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69158461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).