1-(5-bromo-3-methyl-2-pyridinyl)-4-methylpiperidin-3-ol

C12H17BrN2O — CID 103896085

IUPAC1-(5-bromo-3-methyl-2-pyridinyl)-4-methylpiperidin-3-ol
SMILESCc1cc(Br)cnc1N1CCC(C)C(O)C1
InChIInChI=1S/C12H17BrN2O/c1-8-3-4-15(7-11(8)16)12-9(2)5-10(13)6-14-12/h5-6,8,11,16H,3-4,7H2,1-2H3
InChIKeyQHEOFJKYINTRIC-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.36
Rot. Bonds1

About 1-(5-bromo-3-methyl-2-pyridinyl)-4-methylpiperidin-3-ol

1-(5-bromo-3-methyl-2-pyridinyl)-4-methylpiperidin-3-ol (PubChem CID 103896085) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 1-(5-bromo-3-methyl-2-pyridinyl)-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(5-bromo-3-methyl-2-pyridinyl)-4-methylpiperidin-3-ol
PubChem CID103896085
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name1-(5-bromo-3-methyl-2-pyridinyl)-4-methylpiperidin-3-ol
SMILESCc1cc(Br)cnc1N1CCC(C)C(O)C1
InChIInChI=1S/C12H17BrN2O/c1-8-3-4-15(7-11(8)16)12-9(2)5-10(13)6-14-12/h5-6,8,11,16H,3-4,7H2,1-2H3
InChIKeyQHEOFJKYINTRIC-UHFFFAOYSA-N
XLogP2.36
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.36
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-methyl-2-pyridinyl)-4-methylpiperidin-3-ol?
The IUPAC name of 1-(5-bromo-3-methyl-2-pyridinyl)-4-methylpiperidin-3-ol (CID 103896085) is 1-(5-bromo-3-methyl-2-pyridinyl)-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-(5-bromo-3-methyl-2-pyridinyl)-4-methylpiperidin-3-ol?
The canonical SMILES for 1-(5-bromo-3-methyl-2-pyridinyl)-4-methylpiperidin-3-ol is Cc1cc(Br)cnc1N1CCC(C)C(O)C1.
What is the InChIKey of 1-(5-bromo-3-methyl-2-pyridinyl)-4-methylpiperidin-3-ol?
The InChIKey is QHEOFJKYINTRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-8-3-4-15(7-11(8)16)12-9(2)5-10(13)6-14-12/h5-6,8,11,16H,3-4,7H2,1-2H3.
What are the key properties of 1-(5-bromo-3-methyl-2-pyridinyl)-4-methylpiperidin-3-ol?
1-(5-bromo-3-methyl-2-pyridinyl)-4-methylpiperidin-3-ol has a molecular weight of 285.19 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyl-2-pyridinyl)-4-methylpiperidin-3-ol is sourced from PubChem (CID 103896085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).