1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]ethanol

C13H20FN3O — CID 133421755

IUPAC1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]ethanol
SMILESCCc1ncnc(N2CCCC(C(C)O)C2)c1F
InChIInChI=1S/C13H20FN3O/c1-3-11-12(14)13(16-8-15-11)17-6-4-5-10(7-17)9(2)18/h8-10,18H,3-7H2,1-2H3
InChIKeyVTLNCBQKSKNWPM-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.78
Rot. Bonds3

About 1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]ethanol

1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]ethanol (PubChem CID 133421755) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]ethanol
PubChem CID133421755
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]ethanol
SMILESCCc1ncnc(N2CCCC(C(C)O)C2)c1F
InChIInChI=1S/C13H20FN3O/c1-3-11-12(14)13(16-8-15-11)17-6-4-5-10(7-17)9(2)18/h8-10,18H,3-7H2,1-2H3
InChIKeyVTLNCBQKSKNWPM-UHFFFAOYSA-N
XLogP1.78
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]ethanol?
The IUPAC name of 1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]ethanol (CID 133421755) is 1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]ethanol is CCc1ncnc(N2CCCC(C(C)O)C2)c1F.
What is the InChIKey of 1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]ethanol?
The InChIKey is VTLNCBQKSKNWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-3-11-12(14)13(16-8-15-11)17-6-4-5-10(7-17)9(2)18/h8-10,18H,3-7H2,1-2H3.
What are the key properties of 1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]ethanol?
1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]ethanol has a molecular weight of 253.32 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]ethanol is sourced from PubChem (CID 133421755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).