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

C16H15BrClFN2O — CID 172892993

IUPAC1-(5-bromo-3-fluoro-2-pyridinyl)-4-(4-chlorophenyl)piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(c2ncc(Br)cc2F)CC1
InChIInChI=1S/C16H15BrClFN2O/c17-12-9-14(19)15(20-10-12)21-7-5-16(22,6-8-21)11-1-3-13(18)4-2-11/h1-4,9-10,22H,5-8H2
InChIKeyHWYZUXKIDLQBAJ-UHFFFAOYSA-N
MW385.66 g/mol
LogP4.12
Rot. Bonds2

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

1-(5-bromo-3-fluoro-2-pyridinyl)-4-(4-chlorophenyl)piperidin-4-ol (PubChem CID 172892993) has the molecular formula C16H15BrClFN2O and a molecular weight of 385.66 g/mol. Its IUPAC name is 1-(5-bromo-3-fluoro-2-pyridinyl)-4-(4-chlorophenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(5-bromo-3-fluoro-2-pyridinyl)-4-(4-chlorophenyl)piperidin-4-ol
PubChem CID172892993
Molecular FormulaC16H15BrClFN2O
Molecular Weight385.66 g/mol
Exact Mass384.00
IUPAC Name1-(5-bromo-3-fluoro-2-pyridinyl)-4-(4-chlorophenyl)piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(c2ncc(Br)cc2F)CC1
InChIInChI=1S/C16H15BrClFN2O/c17-12-9-14(19)15(20-10-12)21-7-5-16(22,6-8-21)11-1-3-13(18)4-2-11/h1-4,9-10,22H,5-8H2
InChIKeyHWYZUXKIDLQBAJ-UHFFFAOYSA-N
XLogP4.12
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.66
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromo-3-fluoro-2-pyridinyl)-4-(4-chlorophenyl)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-(5-bromo-3-fluoro-2-pyridinyl)-4-(4-chlorophenyl)piperidin-4-ol?
The IUPAC name of 1-(5-bromo-3-fluoro-2-pyridinyl)-4-(4-chlorophenyl)piperidin-4-ol (CID 172892993) is 1-(5-bromo-3-fluoro-2-pyridinyl)-4-(4-chlorophenyl)piperidin-4-ol.
What is the SMILES notation for 1-(5-bromo-3-fluoro-2-pyridinyl)-4-(4-chlorophenyl)piperidin-4-ol?
The canonical SMILES for 1-(5-bromo-3-fluoro-2-pyridinyl)-4-(4-chlorophenyl)piperidin-4-ol is OC1(c2ccc(Cl)cc2)CCN(c2ncc(Br)cc2F)CC1.
What is the InChIKey of 1-(5-bromo-3-fluoro-2-pyridinyl)-4-(4-chlorophenyl)piperidin-4-ol?
The InChIKey is HWYZUXKIDLQBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClFN2O/c17-12-9-14(19)15(20-10-12)21-7-5-16(22,6-8-21)11-1-3-13(18)4-2-11/h1-4,9-10,22H,5-8H2.
What are the key properties of 1-(5-bromo-3-fluoro-2-pyridinyl)-4-(4-chlorophenyl)piperidin-4-ol?
1-(5-bromo-3-fluoro-2-pyridinyl)-4-(4-chlorophenyl)piperidin-4-ol has a molecular weight of 385.66 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-fluoro-2-pyridinyl)-4-(4-chlorophenyl)piperidin-4-ol is sourced from PubChem (CID 172892993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).