1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethanol

C11H16FN3O — CID 103826127

IUPAC1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C11H16FN3O/c1-8(16)9-2-4-15(5-3-9)11-13-6-10(12)7-14-11/h6-9,16H,2-5H2,1H3
InChIKeyFDGHYJRGEMQCQF-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.21
Rot. Bonds2

About 1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethanol

1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethanol (PubChem CID 103826127) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethanol
PubChem CID103826127
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C11H16FN3O/c1-8(16)9-2-4-15(5-3-9)11-13-6-10(12)7-14-11/h6-9,16H,2-5H2,1H3
InChIKeyFDGHYJRGEMQCQF-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethanol (CID 103826127) is 1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethanol is CC(O)C1CCN(c2ncc(F)cn2)CC1.
What is the InChIKey of 1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethanol?
The InChIKey is FDGHYJRGEMQCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-8(16)9-2-4-15(5-3-9)11-13-6-10(12)7-14-11/h6-9,16H,2-5H2,1H3.
What are the key properties of 1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethanol?
1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethanol has a molecular weight of 225.27 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethanol is sourced from PubChem (CID 103826127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).