1-(2-bromo-4-pyridinyl)piperidin-4-ol

C10H13BrN2O — CID 130113709

IUPAC1-(2-bromo-4-pyridinyl)piperidin-4-ol
SMILESOC1CCN(c2ccnc(Br)c2)CC1
InChIInChI=1S/C10H13BrN2O/c11-10-7-8(1-4-12-10)13-5-2-9(14)3-6-13/h1,4,7,9,14H,2-3,5-6H2
InChIKeyPXAFEOLELLODEG-UHFFFAOYSA-N
MW257.13 g/mol
LogP1.81
Rot. Bonds1

About 1-(2-bromo-4-pyridinyl)piperidin-4-ol

1-(2-bromo-4-pyridinyl)piperidin-4-ol (PubChem CID 130113709) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 1-(2-bromo-4-pyridinyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(2-bromo-4-pyridinyl)piperidin-4-ol
PubChem CID130113709
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name1-(2-bromo-4-pyridinyl)piperidin-4-ol
SMILESOC1CCN(c2ccnc(Br)c2)CC1
InChIInChI=1S/C10H13BrN2O/c11-10-7-8(1-4-12-10)13-5-2-9(14)3-6-13/h1,4,7,9,14H,2-3,5-6H2
InChIKeyPXAFEOLELLODEG-UHFFFAOYSA-N
XLogP1.81
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-bromo-4-pyridinyl)piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-pyridinyl)piperidin-4-ol?
The IUPAC name of 1-(2-bromo-4-pyridinyl)piperidin-4-ol (CID 130113709) is 1-(2-bromo-4-pyridinyl)piperidin-4-ol.
What is the SMILES notation for 1-(2-bromo-4-pyridinyl)piperidin-4-ol?
The canonical SMILES for 1-(2-bromo-4-pyridinyl)piperidin-4-ol is OC1CCN(c2ccnc(Br)c2)CC1.
What is the InChIKey of 1-(2-bromo-4-pyridinyl)piperidin-4-ol?
The InChIKey is PXAFEOLELLODEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c11-10-7-8(1-4-12-10)13-5-2-9(14)3-6-13/h1,4,7,9,14H,2-3,5-6H2.
What are the key properties of 1-(2-bromo-4-pyridinyl)piperidin-4-ol?
1-(2-bromo-4-pyridinyl)piperidin-4-ol has a molecular weight of 257.13 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-pyridinyl)piperidin-4-ol is sourced from PubChem (CID 130113709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).