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

C16H15BrClN3O3 — CID 166335630

IUPAC1-(5-bromo-3-nitro-2-pyridinyl)-4-(4-chlorophenyl)piperidin-4-ol
SMILESO=[N+]([O-])c1cc(Br)cnc1N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H15BrClN3O3/c17-12-9-14(21(23)24)15(19-10-12)20-7-5-16(22,6-8-20)11-1-3-13(18)4-2-11/h1-4,9-10,22H,5-8H2
InChIKeyCKGXGIHZHANLJJ-UHFFFAOYSA-N
MW412.67 g/mol
LogP3.89
Rot. Bonds3

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

1-(5-bromo-3-nitro-2-pyridinyl)-4-(4-chlorophenyl)piperidin-4-ol (PubChem CID 166335630) has the molecular formula C16H15BrClN3O3 and a molecular weight of 412.67 g/mol. Its IUPAC name is 1-(5-bromo-3-nitro-2-pyridinyl)-4-(4-chlorophenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(5-bromo-3-nitro-2-pyridinyl)-4-(4-chlorophenyl)piperidin-4-ol
PubChem CID166335630
Molecular FormulaC16H15BrClN3O3
Molecular Weight412.67 g/mol
Exact Mass411.00
IUPAC Name1-(5-bromo-3-nitro-2-pyridinyl)-4-(4-chlorophenyl)piperidin-4-ol
SMILESO=[N+]([O-])c1cc(Br)cnc1N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H15BrClN3O3/c17-12-9-14(21(23)24)15(19-10-12)20-7-5-16(22,6-8-20)11-1-3-13(18)4-2-11/h1-4,9-10,22H,5-8H2
InChIKeyCKGXGIHZHANLJJ-UHFFFAOYSA-N
XLogP3.89
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.67
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(5-bromo-3-nitro-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-nitro-2-pyridinyl)-4-(4-chlorophenyl)piperidin-4-ol?
The IUPAC name of 1-(5-bromo-3-nitro-2-pyridinyl)-4-(4-chlorophenyl)piperidin-4-ol (CID 166335630) is 1-(5-bromo-3-nitro-2-pyridinyl)-4-(4-chlorophenyl)piperidin-4-ol.
What is the SMILES notation for 1-(5-bromo-3-nitro-2-pyridinyl)-4-(4-chlorophenyl)piperidin-4-ol?
The canonical SMILES for 1-(5-bromo-3-nitro-2-pyridinyl)-4-(4-chlorophenyl)piperidin-4-ol is O=[N+]([O-])c1cc(Br)cnc1N1CCC(O)(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(5-bromo-3-nitro-2-pyridinyl)-4-(4-chlorophenyl)piperidin-4-ol?
The InChIKey is CKGXGIHZHANLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN3O3/c17-12-9-14(21(23)24)15(19-10-12)20-7-5-16(22,6-8-20)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-nitro-2-pyridinyl)-4-(4-chlorophenyl)piperidin-4-ol?
1-(5-bromo-3-nitro-2-pyridinyl)-4-(4-chlorophenyl)piperidin-4-ol has a molecular weight of 412.67 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-nitro-2-pyridinyl)-4-(4-chlorophenyl)piperidin-4-ol is sourced from PubChem (CID 166335630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).