2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidine

C14H19F3N4O — CID 86286174

IUPAC2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(N2CCN(CC3CCCO3)CC2)n1
InChIInChI=1S/C14H19F3N4O/c15-14(16,17)12-3-4-18-13(19-12)21-7-5-20(6-8-21)10-11-2-1-9-22-11/h3-4,11H,1-2,5-10H2
InChIKeyIORCMXWFRAQACP-UHFFFAOYSA-N
MW316.33 g/mol
LogP1.80
Rot. Bonds3

About 2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidine

2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidine (PubChem CID 86286174) has the molecular formula C14H19F3N4O and a molecular weight of 316.33 g/mol. Its IUPAC name is 2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidine
PubChem CID86286174
Molecular FormulaC14H19F3N4O
Molecular Weight316.33 g/mol
Exact Mass316.15
IUPAC Name2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(N2CCN(CC3CCCO3)CC2)n1
InChIInChI=1S/C14H19F3N4O/c15-14(16,17)12-3-4-18-13(19-12)21-7-5-20(6-8-21)10-11-2-1-9-22-11/h3-4,11H,1-2,5-10H2
InChIKeyIORCMXWFRAQACP-UHFFFAOYSA-N
XLogP1.80
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidine (CID 86286174) is 2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidine is FC(F)(F)c1ccnc(N2CCN(CC3CCCO3)CC2)n1.
What is the InChIKey of 2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidine?
The InChIKey is IORCMXWFRAQACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O/c15-14(16,17)12-3-4-18-13(19-12)21-7-5-20(6-8-21)10-11-2-1-9-22-11/h3-4,11H,1-2,5-10H2.
What are the key properties of 2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidine?
2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidine has a molecular weight of 316.33 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 86286174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).