1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-amine

C10H13F3N4 — CID 2796122

IUPAC1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-amine
SMILESNC1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C10H13F3N4/c11-10(12,13)8-1-4-15-9(16-8)17-5-2-7(14)3-6-17/h1,4,7H,2-3,5-6,14H2
InChIKeyFBAOOCXFUXICRT-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.42
Rot. Bonds1

About 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-amine

1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-amine (PubChem CID 2796122) has the molecular formula C10H13F3N4 and a molecular weight of 246.24 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-amine
PubChem CID2796122
Molecular FormulaC10H13F3N4
Molecular Weight246.24 g/mol
Exact Mass246.11
IUPAC Name1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-amine
SMILESNC1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C10H13F3N4/c11-10(12,13)8-1-4-15-9(16-8)17-5-2-7(14)3-6-17/h1,4,7H,2-3,5-6,14H2
InChIKeyFBAOOCXFUXICRT-UHFFFAOYSA-N
XLogP1.42
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-amine?
The IUPAC name of 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-amine (CID 2796122) is 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-amine?
The canonical SMILES for 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-amine is NC1CCN(c2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-amine?
The InChIKey is FBAOOCXFUXICRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4/c11-10(12,13)8-1-4-15-9(16-8)17-5-2-7(14)3-6-17/h1,4,7H,2-3,5-6,14H2.
What are the key properties of 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-amine?
1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-amine has a molecular weight of 246.24 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-amine is sourced from PubChem (CID 2796122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).