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

C17H19BrN2O — CID 133296143

IUPAC[1-(5-bromo-3-pyridinyl)piperidin-4-yl]-phenylmethanol
SMILESOC(c1ccccc1)C1CCN(c2cncc(Br)c2)CC1
InChIInChI=1S/C17H19BrN2O/c18-15-10-16(12-19-11-15)20-8-6-14(7-9-20)17(21)13-4-2-1-3-5-13/h1-5,10-12,14,17,21H,6-9H2
InChIKeyGQYVSUQMDBBVOP-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.79
Rot. Bonds3

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

[1-(5-bromo-3-pyridinyl)piperidin-4-yl]-phenylmethanol (PubChem CID 133296143) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is [1-(5-bromo-3-pyridinyl)piperidin-4-yl]-phenylmethanol.

Molecular Properties

Compound Name[1-(5-bromo-3-pyridinyl)piperidin-4-yl]-phenylmethanol
PubChem CID133296143
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name[1-(5-bromo-3-pyridinyl)piperidin-4-yl]-phenylmethanol
SMILESOC(c1ccccc1)C1CCN(c2cncc(Br)c2)CC1
InChIInChI=1S/C17H19BrN2O/c18-15-10-16(12-19-11-15)20-8-6-14(7-9-20)17(21)13-4-2-1-3-5-13/h1-5,10-12,14,17,21H,6-9H2
InChIKeyGQYVSUQMDBBVOP-UHFFFAOYSA-N
XLogP3.79
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(5-bromo-3-pyridinyl)piperidin-4-yl]-phenylmethanol 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-(5-bromo-3-pyridinyl)piperidin-4-yl]-phenylmethanol?
The IUPAC name of [1-(5-bromo-3-pyridinyl)piperidin-4-yl]-phenylmethanol (CID 133296143) is [1-(5-bromo-3-pyridinyl)piperidin-4-yl]-phenylmethanol.
What is the SMILES notation for [1-(5-bromo-3-pyridinyl)piperidin-4-yl]-phenylmethanol?
The canonical SMILES for [1-(5-bromo-3-pyridinyl)piperidin-4-yl]-phenylmethanol is OC(c1ccccc1)C1CCN(c2cncc(Br)c2)CC1.
What is the InChIKey of [1-(5-bromo-3-pyridinyl)piperidin-4-yl]-phenylmethanol?
The InChIKey is GQYVSUQMDBBVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c18-15-10-16(12-19-11-15)20-8-6-14(7-9-20)17(21)13-4-2-1-3-5-13/h1-5,10-12,14,17,21H,6-9H2.
What are the key properties of [1-(5-bromo-3-pyridinyl)piperidin-4-yl]-phenylmethanol?
[1-(5-bromo-3-pyridinyl)piperidin-4-yl]-phenylmethanol has a molecular weight of 347.26 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-3-pyridinyl)piperidin-4-yl]-phenylmethanol is sourced from PubChem (CID 133296143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).