1-pyrimidin-4-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid

C11H15F3N4O2 — CID 22394384

IUPAC1-pyrimidin-4-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid
SMILESNC1CCN(c2ccncn2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H14N4.C2HF3O2/c10-8-2-5-13(6-3-8)9-1-4-11-7-12-9;3-2(4,5)1(6)7/h1,4,7-8H,2-3,5-6,10H2;(H,6,7)
InChIKeyMXQDWYDUBAAGAF-UHFFFAOYSA-N
MW292.26 g/mol
LogP1.04
Rot. Bonds1

About 1-pyrimidin-4-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid

1-pyrimidin-4-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid (PubChem CID 22394384) has the molecular formula C11H15F3N4O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is 1-pyrimidin-4-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-pyrimidin-4-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid
PubChem CID22394384
Molecular FormulaC11H15F3N4O2
Molecular Weight292.26 g/mol
Exact Mass292.11
IUPAC Name1-pyrimidin-4-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid
SMILESNC1CCN(c2ccncn2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H14N4.C2HF3O2/c10-8-2-5-13(6-3-8)9-1-4-11-7-12-9;3-2(4,5)1(6)7/h1,4,7-8H,2-3,5-6,10H2;(H,6,7)
InChIKeyMXQDWYDUBAAGAF-UHFFFAOYSA-N
XLogP1.04
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-pyrimidin-4-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-4-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-pyrimidin-4-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid (CID 22394384) is 1-pyrimidin-4-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-pyrimidin-4-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-pyrimidin-4-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid is NC1CCN(c2ccncn2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-pyrimidin-4-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid?
The InChIKey is MXQDWYDUBAAGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4.C2HF3O2/c10-8-2-5-13(6-3-8)9-1-4-11-7-12-9;3-2(4,5)1(6)7/h1,4,7-8H,2-3,5-6,10H2;(H,6,7).
What are the key properties of 1-pyrimidin-4-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid?
1-pyrimidin-4-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid has a molecular weight of 292.26 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-4-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 22394384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).