2-(piperidin-4-ylmethyl)-4-(trifluoromethyl)pyrimidine

C11H14F3N3 — CID 52911159

IUPAC2-(piperidin-4-ylmethyl)-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(CC2CCNCC2)n1
InChIInChI=1S/C11H14F3N3/c12-11(13,14)9-3-6-16-10(17-9)7-8-1-4-15-5-2-8/h3,6,8,15H,1-2,4-5,7H2
InChIKeyAHZPIQMCUVGIDC-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.04
Rot. Bonds2

About 2-(piperidin-4-ylmethyl)-4-(trifluoromethyl)pyrimidine

2-(piperidin-4-ylmethyl)-4-(trifluoromethyl)pyrimidine (PubChem CID 52911159) has the molecular formula C11H14F3N3 and a molecular weight of 245.25 g/mol. Its IUPAC name is 2-(piperidin-4-ylmethyl)-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(piperidin-4-ylmethyl)-4-(trifluoromethyl)pyrimidine
PubChem CID52911159
Molecular FormulaC11H14F3N3
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC Name2-(piperidin-4-ylmethyl)-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(CC2CCNCC2)n1
InChIInChI=1S/C11H14F3N3/c12-11(13,14)9-3-6-16-10(17-9)7-8-1-4-15-5-2-8/h3,6,8,15H,1-2,4-5,7H2
InChIKeyAHZPIQMCUVGIDC-UHFFFAOYSA-N
XLogP2.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-4-ylmethyl)-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(piperidin-4-ylmethyl)-4-(trifluoromethyl)pyrimidine (CID 52911159) is 2-(piperidin-4-ylmethyl)-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(piperidin-4-ylmethyl)-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(piperidin-4-ylmethyl)-4-(trifluoromethyl)pyrimidine is FC(F)(F)c1ccnc(CC2CCNCC2)n1.
What is the InChIKey of 2-(piperidin-4-ylmethyl)-4-(trifluoromethyl)pyrimidine?
The InChIKey is AHZPIQMCUVGIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3/c12-11(13,14)9-3-6-16-10(17-9)7-8-1-4-15-5-2-8/h3,6,8,15H,1-2,4-5,7H2.
What are the key properties of 2-(piperidin-4-ylmethyl)-4-(trifluoromethyl)pyrimidine?
2-(piperidin-4-ylmethyl)-4-(trifluoromethyl)pyrimidine has a molecular weight of 245.25 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-4-ylmethyl)-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 52911159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).