1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-ol

C11H16FN3O — CID 103867437

IUPAC1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-ol
SMILESCCc1ncnc(N2CCC(O)CC2)c1F
InChIInChI=1S/C11H16FN3O/c1-2-9-10(12)11(14-7-13-9)15-5-3-8(16)4-6-15/h7-8,16H,2-6H2,1H3
InChIKeyUBLWQNDDWWCQHT-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.14
Rot. Bonds2

About 1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-ol

1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-ol (PubChem CID 103867437) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-ol
PubChem CID103867437
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-ol
SMILESCCc1ncnc(N2CCC(O)CC2)c1F
InChIInChI=1S/C11H16FN3O/c1-2-9-10(12)11(14-7-13-9)15-5-3-8(16)4-6-15/h7-8,16H,2-6H2,1H3
InChIKeyUBLWQNDDWWCQHT-UHFFFAOYSA-N
XLogP1.14
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-ol?
The IUPAC name of 1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-ol (CID 103867437) is 1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-ol.
What is the SMILES notation for 1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-ol?
The canonical SMILES for 1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-ol is CCc1ncnc(N2CCC(O)CC2)c1F.
What is the InChIKey of 1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-ol?
The InChIKey is UBLWQNDDWWCQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-2-9-10(12)11(14-7-13-9)15-5-3-8(16)4-6-15/h7-8,16H,2-6H2,1H3.
What are the key properties of 1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-ol?
1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-ol has a molecular weight of 225.27 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-ol is sourced from PubChem (CID 103867437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).