1,1,1-trifluoro-2-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]propan-2-ol

C15H22F3N3O — CID 136531947

IUPAC1,1,1-trifluoro-2-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]propan-2-ol
SMILESCC(C)c1nccc(N2CCC(C(C)(O)C(F)(F)F)CC2)n1
InChIInChI=1S/C15H22F3N3O/c1-10(2)13-19-7-4-12(20-13)21-8-5-11(6-9-21)14(3,22)15(16,17)18/h4,7,10-11,22H,5-6,8-9H2,1-3H3
InChIKeyJSNZRGDEQJJCMQ-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.13
Rot. Bonds3

About 1,1,1-trifluoro-2-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]propan-2-ol

1,1,1-trifluoro-2-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]propan-2-ol (PubChem CID 136531947) has the molecular formula C15H22F3N3O and a molecular weight of 317.36 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]propan-2-ol
PubChem CID136531947
Molecular FormulaC15H22F3N3O
Molecular Weight317.36 g/mol
Exact Mass317.17
IUPAC Name1,1,1-trifluoro-2-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]propan-2-ol
SMILESCC(C)c1nccc(N2CCC(C(C)(O)C(F)(F)F)CC2)n1
InChIInChI=1S/C15H22F3N3O/c1-10(2)13-19-7-4-12(20-13)21-8-5-11(6-9-21)14(3,22)15(16,17)18/h4,7,10-11,22H,5-6,8-9H2,1-3H3
InChIKeyJSNZRGDEQJJCMQ-UHFFFAOYSA-N
XLogP3.13
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]propan-2-ol (CID 136531947) is 1,1,1-trifluoro-2-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]propan-2-ol is CC(C)c1nccc(N2CCC(C(C)(O)C(F)(F)F)CC2)n1.
What is the InChIKey of 1,1,1-trifluoro-2-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]propan-2-ol?
The InChIKey is JSNZRGDEQJJCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O/c1-10(2)13-19-7-4-12(20-13)21-8-5-11(6-9-21)14(3,22)15(16,17)18/h4,7,10-11,22H,5-6,8-9H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-2-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]propan-2-ol?
1,1,1-trifluoro-2-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]propan-2-ol has a molecular weight of 317.36 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]propan-2-ol is sourced from PubChem (CID 136531947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).