4-(4-piperidin-4-ylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidine

C15H21F3N4 — CID 69046667

IUPAC4-(4-piperidin-4-ylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nccc(N2CCC(C3CCNCC3)CC2)n1
InChIInChI=1S/C15H21F3N4/c16-15(17,18)14-20-8-3-13(21-14)22-9-4-12(5-10-22)11-1-6-19-7-2-11/h3,8,11-12,19H,1-2,4-7,9-10H2
InChIKeyJACUIKGRBKOGGG-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.71
Rot. Bonds2

About 4-(4-piperidin-4-ylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidine

4-(4-piperidin-4-ylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidine (PubChem CID 69046667) has the molecular formula C15H21F3N4 and a molecular weight of 314.35 g/mol. Its IUPAC name is 4-(4-piperidin-4-ylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(4-piperidin-4-ylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidine
PubChem CID69046667
Molecular FormulaC15H21F3N4
Molecular Weight314.35 g/mol
Exact Mass314.17
IUPAC Name4-(4-piperidin-4-ylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nccc(N2CCC(C3CCNCC3)CC2)n1
InChIInChI=1S/C15H21F3N4/c16-15(17,18)14-20-8-3-13(21-14)22-9-4-12(5-10-22)11-1-6-19-7-2-11/h3,8,11-12,19H,1-2,4-7,9-10H2
InChIKeyJACUIKGRBKOGGG-UHFFFAOYSA-N
XLogP2.71
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-piperidin-4-ylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(4-piperidin-4-ylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidine (CID 69046667) is 4-(4-piperidin-4-ylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(4-piperidin-4-ylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(4-piperidin-4-ylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidine is FC(F)(F)c1nccc(N2CCC(C3CCNCC3)CC2)n1.
What is the InChIKey of 4-(4-piperidin-4-ylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is JACUIKGRBKOGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4/c16-15(17,18)14-20-8-3-13(21-14)22-9-4-12(5-10-22)11-1-6-19-7-2-11/h3,8,11-12,19H,1-2,4-7,9-10H2.
What are the key properties of 4-(4-piperidin-4-ylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidine?
4-(4-piperidin-4-ylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 314.35 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-piperidin-4-ylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 69046667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).