2-(4-bromopiperidin-1-yl)-4-(trifluoromethyl)pyridine

C11H12BrF3N2 — CID 80674656

IUPAC2-(4-bromopiperidin-1-yl)-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccnc(N2CCC(Br)CC2)c1
InChIInChI=1S/C11H12BrF3N2/c12-9-2-5-17(6-3-9)10-7-8(1-4-16-10)11(13,14)15/h1,4,7,9H,2-3,5-6H2
InChIKeyCAUPIHVCKCHQMB-UHFFFAOYSA-N
MW309.13 g/mol
LogP3.46
Rot. Bonds1

About 2-(4-bromopiperidin-1-yl)-4-(trifluoromethyl)pyridine

2-(4-bromopiperidin-1-yl)-4-(trifluoromethyl)pyridine (PubChem CID 80674656) has the molecular formula C11H12BrF3N2 and a molecular weight of 309.13 g/mol. Its IUPAC name is 2-(4-bromopiperidin-1-yl)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(4-bromopiperidin-1-yl)-4-(trifluoromethyl)pyridine
PubChem CID80674656
Molecular FormulaC11H12BrF3N2
Molecular Weight309.13 g/mol
Exact Mass308.01
IUPAC Name2-(4-bromopiperidin-1-yl)-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccnc(N2CCC(Br)CC2)c1
InChIInChI=1S/C11H12BrF3N2/c12-9-2-5-17(6-3-9)10-7-8(1-4-16-10)11(13,14)15/h1,4,7,9H,2-3,5-6H2
InChIKeyCAUPIHVCKCHQMB-UHFFFAOYSA-N
XLogP3.46
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.13
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[4-(bromomethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine
CID 80669144
1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;dihydrochloride
CID 67243169
4-[4-(trifluoromethyl)-2-pyridinyl]thiomorpholine
CID 121020750
4-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thiomorpholine
CID 171335362
[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamic acid
CID 67244637
[1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanamine
CID 66330460
(3R,4R)-4-(hydroxymethyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-ol
CID 155915627
4-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138387482
2-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 79372086
N-cyclopropyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide
CID 166603071
2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetic acid
CID 66329032
1-but-3-ynyl-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine
CID 133453652

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopiperidin-1-yl)-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-(4-bromopiperidin-1-yl)-4-(trifluoromethyl)pyridine (CID 80674656) is 2-(4-bromopiperidin-1-yl)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(4-bromopiperidin-1-yl)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(4-bromopiperidin-1-yl)-4-(trifluoromethyl)pyridine is FC(F)(F)c1ccnc(N2CCC(Br)CC2)c1.
What is the InChIKey of 2-(4-bromopiperidin-1-yl)-4-(trifluoromethyl)pyridine?
The InChIKey is CAUPIHVCKCHQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF3N2/c12-9-2-5-17(6-3-9)10-7-8(1-4-16-10)11(13,14)15/h1,4,7,9H,2-3,5-6H2.
What are the key properties of 2-(4-bromopiperidin-1-yl)-4-(trifluoromethyl)pyridine?
2-(4-bromopiperidin-1-yl)-4-(trifluoromethyl)pyridine has a molecular weight of 309.13 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopiperidin-1-yl)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 80674656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).