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

C11H15BrN2O — CID 99717054

IUPAC1-(3-bromo-5-methyl-2-pyridinyl)piperidin-4-ol
SMILESCc1cnc(N2CCC(O)CC2)c(Br)c1
InChIInChI=1S/C11H15BrN2O/c1-8-6-10(12)11(13-7-8)14-4-2-9(15)3-5-14/h6-7,9,15H,2-5H2,1H3
InChIKeyOWVYVZLLPYFINQ-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.11
Rot. Bonds1

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

1-(3-bromo-5-methyl-2-pyridinyl)piperidin-4-ol (PubChem CID 99717054) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 1-(3-bromo-5-methyl-2-pyridinyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(3-bromo-5-methyl-2-pyridinyl)piperidin-4-ol
PubChem CID99717054
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name1-(3-bromo-5-methyl-2-pyridinyl)piperidin-4-ol
SMILESCc1cnc(N2CCC(O)CC2)c(Br)c1
InChIInChI=1S/C11H15BrN2O/c1-8-6-10(12)11(13-7-8)14-4-2-9(15)3-5-14/h6-7,9,15H,2-5H2,1H3
InChIKeyOWVYVZLLPYFINQ-UHFFFAOYSA-N
XLogP2.11
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methyl-2-pyridinyl)piperidin-4-ol?
The IUPAC name of 1-(3-bromo-5-methyl-2-pyridinyl)piperidin-4-ol (CID 99717054) is 1-(3-bromo-5-methyl-2-pyridinyl)piperidin-4-ol.
What is the SMILES notation for 1-(3-bromo-5-methyl-2-pyridinyl)piperidin-4-ol?
The canonical SMILES for 1-(3-bromo-5-methyl-2-pyridinyl)piperidin-4-ol is Cc1cnc(N2CCC(O)CC2)c(Br)c1.
What is the InChIKey of 1-(3-bromo-5-methyl-2-pyridinyl)piperidin-4-ol?
The InChIKey is OWVYVZLLPYFINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-8-6-10(12)11(13-7-8)14-4-2-9(15)3-5-14/h6-7,9,15H,2-5H2,1H3.
What are the key properties of 1-(3-bromo-5-methyl-2-pyridinyl)piperidin-4-ol?
1-(3-bromo-5-methyl-2-pyridinyl)piperidin-4-ol has a molecular weight of 271.16 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methyl-2-pyridinyl)piperidin-4-ol is sourced from PubChem (CID 99717054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).