2-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-1,1,1-trifluoropropan-2-ol

C14H20F3N3O2 — CID 86797898

IUPAC2-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-1,1,1-trifluoropropan-2-ol
SMILESCCOc1cc(N2CCC(C(C)(O)C(F)(F)F)CC2)ncn1
InChIInChI=1S/C14H20F3N3O2/c1-3-22-12-8-11(18-9-19-12)20-6-4-10(5-7-20)13(2,21)14(15,16)17/h8-10,21H,3-7H2,1-2H3
InChIKeyIKZDRDIUPCEEQN-UHFFFAOYSA-N
MW319.33 g/mol
LogP2.40
Rot. Bonds4

About 2-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-1,1,1-trifluoropropan-2-ol

2-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 86797898) has the molecular formula C14H20F3N3O2 and a molecular weight of 319.33 g/mol. Its IUPAC name is 2-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-1,1,1-trifluoropropan-2-ol
PubChem CID86797898
Molecular FormulaC14H20F3N3O2
Molecular Weight319.33 g/mol
Exact Mass319.15
IUPAC Name2-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-1,1,1-trifluoropropan-2-ol
SMILESCCOc1cc(N2CCC(C(C)(O)C(F)(F)F)CC2)ncn1
InChIInChI=1S/C14H20F3N3O2/c1-3-22-12-8-11(18-9-19-12)20-6-4-10(5-7-20)13(2,21)14(15,16)17/h8-10,21H,3-7H2,1-2H3
InChIKeyIKZDRDIUPCEEQN-UHFFFAOYSA-N
XLogP2.40
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-1,1,1-trifluoropropan-2-ol (CID 86797898) is 2-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-1,1,1-trifluoropropan-2-ol is CCOc1cc(N2CCC(C(C)(O)C(F)(F)F)CC2)ncn1.
What is the InChIKey of 2-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is IKZDRDIUPCEEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O2/c1-3-22-12-8-11(18-9-19-12)20-6-4-10(5-7-20)13(2,21)14(15,16)17/h8-10,21H,3-7H2,1-2H3.
What are the key properties of 2-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-1,1,1-trifluoropropan-2-ol?
2-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 319.33 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 86797898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).