1-(5-bromo-3-fluoro-2-pyridinyl)-N-piperidin-4-yloxypiperidin-4-imine

C15H20BrFN4O — CID 141306046

IUPAC1-(5-bromo-3-fluoro-2-pyridinyl)-N-piperidin-4-yloxypiperidin-4-imine
SMILESFc1cc(Br)cnc1N1CCC(=NOC2CCNCC2)CC1
InChIInChI=1S/C15H20BrFN4O/c16-11-9-14(17)15(19-10-11)21-7-3-12(4-8-21)20-22-13-1-5-18-6-2-13/h9-10,13,18H,1-8H2
InChIKeyJUBITYLJJVJQHT-UHFFFAOYSA-N
MW371.25 g/mol
LogP2.71
Rot. Bonds3

About 1-(5-bromo-3-fluoro-2-pyridinyl)-N-piperidin-4-yloxypiperidin-4-imine

1-(5-bromo-3-fluoro-2-pyridinyl)-N-piperidin-4-yloxypiperidin-4-imine (PubChem CID 141306046) has the molecular formula C15H20BrFN4O and a molecular weight of 371.25 g/mol. Its IUPAC name is 1-(5-bromo-3-fluoro-2-pyridinyl)-N-piperidin-4-yloxypiperidin-4-imine.

Molecular Properties

Compound Name1-(5-bromo-3-fluoro-2-pyridinyl)-N-piperidin-4-yloxypiperidin-4-imine
PubChem CID141306046
Molecular FormulaC15H20BrFN4O
Molecular Weight371.25 g/mol
Exact Mass370.08
IUPAC Name1-(5-bromo-3-fluoro-2-pyridinyl)-N-piperidin-4-yloxypiperidin-4-imine
SMILESFc1cc(Br)cnc1N1CCC(=NOC2CCNCC2)CC1
InChIInChI=1S/C15H20BrFN4O/c16-11-9-14(17)15(19-10-11)21-7-3-12(4-8-21)20-22-13-1-5-18-6-2-13/h9-10,13,18H,1-8H2
InChIKeyJUBITYLJJVJQHT-UHFFFAOYSA-N
XLogP2.71
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.25
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[5-bromo-3-[(E)-methoxyiminomethyl]-2-pyridinyl]-N-cyclohexylpiperidin-4-amine
CID 137529693
5-bromo-N-[3-(oxan-4-yloxy)propyl]pyridin-2-amine
CID 71871023
5-bromo-N-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpyridin-2-amine
CID 75379547
1-[5-bromo-3-[(E)-ethoxyiminomethyl]-2-pyridinyl]-N-cyclohexylpiperidin-4-amine
CID 137529694
1-(5-Bromo-3-fluoropyridin-2-YL)piperazine
CID 53406209
5-Fluoro-2-(4-piperidin-4-yloxypiperidin-1-yl)pyridine
CID 59506072
4-(5'-Bromo-3'-fluoro-2,3,5,6-tetrahydro-[1,2']bipyridinyl-4-ylideneaminooxy)-piperidine-1-carboxylic acid isopropyl ester
CID 86655009
4-[[1-(5-Bromo-3-fluoro-2-pyridinyl)piperidin-4-ylidene]amino]oxypiperidine-1-carboxylic acid
CID 87428194
propan-2-yl 4-[[1-(5-bromo-3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]amino]oxypiperidine-1-carboxylate
CID 91152986
1-(5-Bromo-3-fluoropyridin-2-yl)piperidin-4-ol
CID 104918772
(2S,6R)-4-(5-bromo-3-fluoro-2-pyridinyl)-2,6-dimethylmorpholine
CID 108165251
1-(5-bromo-3-fluoro-2-pyridinyl)-N-methoxyazetidin-3-imine
CID 126561906

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-fluoro-2-pyridinyl)-N-piperidin-4-yloxypiperidin-4-imine?
The IUPAC name of 1-(5-bromo-3-fluoro-2-pyridinyl)-N-piperidin-4-yloxypiperidin-4-imine (CID 141306046) is 1-(5-bromo-3-fluoro-2-pyridinyl)-N-piperidin-4-yloxypiperidin-4-imine.
What is the SMILES notation for 1-(5-bromo-3-fluoro-2-pyridinyl)-N-piperidin-4-yloxypiperidin-4-imine?
The canonical SMILES for 1-(5-bromo-3-fluoro-2-pyridinyl)-N-piperidin-4-yloxypiperidin-4-imine is Fc1cc(Br)cnc1N1CCC(=NOC2CCNCC2)CC1.
What is the InChIKey of 1-(5-bromo-3-fluoro-2-pyridinyl)-N-piperidin-4-yloxypiperidin-4-imine?
The InChIKey is JUBITYLJJVJQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN4O/c16-11-9-14(17)15(19-10-11)21-7-3-12(4-8-21)20-22-13-1-5-18-6-2-13/h9-10,13,18H,1-8H2.
What are the key properties of 1-(5-bromo-3-fluoro-2-pyridinyl)-N-piperidin-4-yloxypiperidin-4-imine?
1-(5-bromo-3-fluoro-2-pyridinyl)-N-piperidin-4-yloxypiperidin-4-imine has a molecular weight of 371.25 g/mol, XLogP of 2.71, 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-fluoro-2-pyridinyl)-N-piperidin-4-yloxypiperidin-4-imine is sourced from PubChem (CID 141306046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).