[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]methanol

C11H14BrFN2O — CID 104918893

IUPAC[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]methanol
SMILESOCC1CCN(c2ncc(Br)cc2F)CC1
InChIInChI=1S/C11H14BrFN2O/c12-9-5-10(13)11(14-6-9)15-3-1-8(7-16)2-4-15/h5-6,8,16H,1-4,7H2
InChIKeyYZUCTDLFQMIDPS-UHFFFAOYSA-N
MW289.15 g/mol
LogP2.19
Rot. Bonds2

About [1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]methanol

[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]methanol (PubChem CID 104918893) has the molecular formula C11H14BrFN2O and a molecular weight of 289.15 g/mol. Its IUPAC name is [1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]methanol
PubChem CID104918893
Molecular FormulaC11H14BrFN2O
Molecular Weight289.15 g/mol
Exact Mass288.03
IUPAC Name[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]methanol
SMILESOCC1CCN(c2ncc(Br)cc2F)CC1
InChIInChI=1S/C11H14BrFN2O/c12-9-5-10(13)11(14-6-9)15-3-1-8(7-16)2-4-15/h5-6,8,16H,1-4,7H2
InChIKeyYZUCTDLFQMIDPS-UHFFFAOYSA-N
XLogP2.19
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.15
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]methanol?
The IUPAC name of [1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]methanol (CID 104918893) is [1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]methanol is OCC1CCN(c2ncc(Br)cc2F)CC1.
What is the InChIKey of [1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]methanol?
The InChIKey is YZUCTDLFQMIDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O/c12-9-5-10(13)11(14-6-9)15-3-1-8(7-16)2-4-15/h5-6,8,16H,1-4,7H2.
What are the key properties of [1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]methanol?
[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]methanol has a molecular weight of 289.15 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]methanol is sourced from PubChem (CID 104918893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).