1-methoxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol

C13H19F3N4O2 — CID 3859024

IUPAC1-methoxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol
SMILESCOCC(O)CN1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C13H19F3N4O2/c1-22-9-10(21)8-19-4-6-20(7-5-19)12-17-3-2-11(18-12)13(14,15)16/h2-3,10,21H,4-9H2,1H3
InChIKeyQXTIQBVAPMXUSK-UHFFFAOYSA-N
MW320.31 g/mol
LogP0.62
Rot. Bonds5

About 1-methoxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol

1-methoxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol (PubChem CID 3859024) has the molecular formula C13H19F3N4O2 and a molecular weight of 320.31 g/mol. Its IUPAC name is 1-methoxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol
PubChem CID3859024
Molecular FormulaC13H19F3N4O2
Molecular Weight320.31 g/mol
Exact Mass320.15
IUPAC Name1-methoxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol
SMILESCOCC(O)CN1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C13H19F3N4O2/c1-22-9-10(21)8-19-4-6-20(7-5-19)12-17-3-2-11(18-12)13(14,15)16/h2-3,10,21H,4-9H2,1H3
InChIKeyQXTIQBVAPMXUSK-UHFFFAOYSA-N
XLogP0.62
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-methoxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol (CID 3859024) is 1-methoxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol is COCC(O)CN1CCN(c2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 1-methoxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol?
The InChIKey is QXTIQBVAPMXUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O2/c1-22-9-10(21)8-19-4-6-20(7-5-19)12-17-3-2-11(18-12)13(14,15)16/h2-3,10,21H,4-9H2,1H3.
What are the key properties of 1-methoxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol?
1-methoxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol has a molecular weight of 320.31 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 3859024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).