1-[1-(5-bromo-3-pyridinyl)piperidin-4-yl]ethanol

C12H17BrN2O — CID 71871118

IUPAC1-[1-(5-bromo-3-pyridinyl)piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(c2cncc(Br)c2)CC1
InChIInChI=1S/C12H17BrN2O/c1-9(16)10-2-4-15(5-3-10)12-6-11(13)7-14-8-12/h6-10,16H,2-5H2,1H3
InChIKeyDMJKPVGMLXEZSW-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.44
Rot. Bonds2

About 1-[1-(5-bromo-3-pyridinyl)piperidin-4-yl]ethanol

1-[1-(5-bromo-3-pyridinyl)piperidin-4-yl]ethanol (PubChem CID 71871118) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 1-[1-(5-bromo-3-pyridinyl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(5-bromo-3-pyridinyl)piperidin-4-yl]ethanol
PubChem CID71871118
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name1-[1-(5-bromo-3-pyridinyl)piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(c2cncc(Br)c2)CC1
InChIInChI=1S/C12H17BrN2O/c1-9(16)10-2-4-15(5-3-10)12-6-11(13)7-14-8-12/h6-10,16H,2-5H2,1H3
InChIKeyDMJKPVGMLXEZSW-UHFFFAOYSA-N
XLogP2.44
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-bromo-3-pyridinyl)piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-(5-bromo-3-pyridinyl)piperidin-4-yl]ethanol (CID 71871118) is 1-[1-(5-bromo-3-pyridinyl)piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-(5-bromo-3-pyridinyl)piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-(5-bromo-3-pyridinyl)piperidin-4-yl]ethanol is CC(O)C1CCN(c2cncc(Br)c2)CC1.
What is the InChIKey of 1-[1-(5-bromo-3-pyridinyl)piperidin-4-yl]ethanol?
The InChIKey is DMJKPVGMLXEZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-9(16)10-2-4-15(5-3-10)12-6-11(13)7-14-8-12/h6-10,16H,2-5H2,1H3.
What are the key properties of 1-[1-(5-bromo-3-pyridinyl)piperidin-4-yl]ethanol?
1-[1-(5-bromo-3-pyridinyl)piperidin-4-yl]ethanol has a molecular weight of 285.19 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-bromo-3-pyridinyl)piperidin-4-yl]ethanol is sourced from PubChem (CID 71871118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).