(2-bromo-4-fluorophenyl)-piperidin-1-ylmethanimine

C12H14BrFN2 — CID 107282840

IUPAC(2-bromo-4-fluorophenyl)-piperidin-1-ylmethanimine
SMILES[H]/N=C(/c1ccc(F)cc1Br)N1CCCCC1
InChIInChI=1S/C12H14BrFN2/c13-11-8-9(14)4-5-10(11)12(15)16-6-2-1-3-7-16/h4-5,8,15H,1-3,6-7H2/b15-12-
InChIKeyZAUPHEOBYUUEJU-QINSGFPZSA-N
MW285.16 g/mol
LogP3.40
Rot. Bonds1

About (2-bromo-4-fluorophenyl)-piperidin-1-ylmethanimine

(2-bromo-4-fluorophenyl)-piperidin-1-ylmethanimine (PubChem CID 107282840) has the molecular formula C12H14BrFN2 and a molecular weight of 285.16 g/mol. Its IUPAC name is (2-bromo-4-fluorophenyl)-piperidin-1-ylmethanimine.

Molecular Properties

Compound Name(2-bromo-4-fluorophenyl)-piperidin-1-ylmethanimine
PubChem CID107282840
Molecular FormulaC12H14BrFN2
Molecular Weight285.16 g/mol
Exact Mass284.03
IUPAC Name(2-bromo-4-fluorophenyl)-piperidin-1-ylmethanimine
SMILES[H]/N=C(/c1ccc(F)cc1Br)N1CCCCC1
InChIInChI=1S/C12H14BrFN2/c13-11-8-9(14)4-5-10(11)12(15)16-6-2-1-3-7-16/h4-5,8,15H,1-3,6-7H2/b15-12-
InChIKeyZAUPHEOBYUUEJU-QINSGFPZSA-N
XLogP3.40
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.16
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(4-fluoro-2-methylphenyl)-pyrrolidin-1-ylmethanimine
CID 81277234
(2-bromo-5-fluorophenyl)-piperidin-1-ylmethanone
CID 24691759
(2-bromo-5-fluorophenyl)-pyrrolidin-1-ylmethanone
CID 24709222
2-(2-bromo-4-fluoroanilino)-1-piperidin-1-ylethanone
CID 28939346
(2-bromo-4-fluorophenyl)-cyclohexylmethanone
CID 114962193
(3-bromophenyl)-pyrrolidin-1-ylmethanimine
CID 62047755
N-(2-carbamimidoyl-4-fluorophenyl)azepane-1-carboxamide
CID 82684682
(3-chloro-4-fluorophenyl)-pyrrolidin-1-ylmethanimine
CID 63179175
azepan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone
CID 113304514
N-(5-bromo-2-pyridinyl)-5-fluoro-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 10279176
2-(2-bromo-4-fluoroanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 43119481
5-fluoro-N-(4-methylphenyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 89063340

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-fluorophenyl)-piperidin-1-ylmethanimine?
The IUPAC name of (2-bromo-4-fluorophenyl)-piperidin-1-ylmethanimine (CID 107282840) is (2-bromo-4-fluorophenyl)-piperidin-1-ylmethanimine.
What is the SMILES notation for (2-bromo-4-fluorophenyl)-piperidin-1-ylmethanimine?
The canonical SMILES for (2-bromo-4-fluorophenyl)-piperidin-1-ylmethanimine is [H]/N=C(/c1ccc(F)cc1Br)N1CCCCC1.
What is the InChIKey of (2-bromo-4-fluorophenyl)-piperidin-1-ylmethanimine?
The InChIKey is ZAUPHEOBYUUEJU-QINSGFPZSA-N. The full InChI is InChI=1S/C12H14BrFN2/c13-11-8-9(14)4-5-10(11)12(15)16-6-2-1-3-7-16/h4-5,8,15H,1-3,6-7H2/b15-12-.
What are the key properties of (2-bromo-4-fluorophenyl)-piperidin-1-ylmethanimine?
(2-bromo-4-fluorophenyl)-piperidin-1-ylmethanimine has a molecular weight of 285.16 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-fluorophenyl)-piperidin-1-ylmethanimine is sourced from PubChem (CID 107282840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).