1-(2,6-dibromo-4-pyridinyl)-4-methylpiperidin-4-ol

C11H14Br2N2O — CID 166918614

IUPAC1-(2,6-dibromo-4-pyridinyl)-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(c2cc(Br)nc(Br)c2)CC1
InChIInChI=1S/C11H14Br2N2O/c1-11(16)2-4-15(5-3-11)8-6-9(12)14-10(13)7-8/h6-7,16H,2-5H2,1H3
InChIKeyWPPDRGKXLPYLRJ-UHFFFAOYSA-N
MW350.05 g/mol
LogP2.96
Rot. Bonds1

About 1-(2,6-dibromo-4-pyridinyl)-4-methylpiperidin-4-ol

1-(2,6-dibromo-4-pyridinyl)-4-methylpiperidin-4-ol (PubChem CID 166918614) has the molecular formula C11H14Br2N2O and a molecular weight of 350.05 g/mol. Its IUPAC name is 1-(2,6-dibromo-4-pyridinyl)-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(2,6-dibromo-4-pyridinyl)-4-methylpiperidin-4-ol
PubChem CID166918614
Molecular FormulaC11H14Br2N2O
Molecular Weight350.05 g/mol
Exact Mass347.95
IUPAC Name1-(2,6-dibromo-4-pyridinyl)-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(c2cc(Br)nc(Br)c2)CC1
InChIInChI=1S/C11H14Br2N2O/c1-11(16)2-4-15(5-3-11)8-6-9(12)14-10(13)7-8/h6-7,16H,2-5H2,1H3
InChIKeyWPPDRGKXLPYLRJ-UHFFFAOYSA-N
XLogP2.96
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.05
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dibromo-4-pyridinyl)-4-methylpiperidin-4-ol?
The IUPAC name of 1-(2,6-dibromo-4-pyridinyl)-4-methylpiperidin-4-ol (CID 166918614) is 1-(2,6-dibromo-4-pyridinyl)-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(2,6-dibromo-4-pyridinyl)-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(2,6-dibromo-4-pyridinyl)-4-methylpiperidin-4-ol is CC1(O)CCN(c2cc(Br)nc(Br)c2)CC1.
What is the InChIKey of 1-(2,6-dibromo-4-pyridinyl)-4-methylpiperidin-4-ol?
The InChIKey is WPPDRGKXLPYLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2N2O/c1-11(16)2-4-15(5-3-11)8-6-9(12)14-10(13)7-8/h6-7,16H,2-5H2,1H3.
What are the key properties of 1-(2,6-dibromo-4-pyridinyl)-4-methylpiperidin-4-ol?
1-(2,6-dibromo-4-pyridinyl)-4-methylpiperidin-4-ol has a molecular weight of 350.05 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dibromo-4-pyridinyl)-4-methylpiperidin-4-ol is sourced from PubChem (CID 166918614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).