(4-bromophenyl)-(1-methylpiperidin-4-yl)methanimine

C13H17BrN2 — CID 91473327

IUPAC(4-bromophenyl)-(1-methylpiperidin-4-yl)methanimine
SMILES[H]/N=C(\c1ccc(Br)cc1)C1CCN(C)CC1
InChIInChI=1S/C13H17BrN2/c1-16-8-6-11(7-9-16)13(15)10-2-4-12(14)5-3-10/h2-5,11,15H,6-9H2,1H3/b15-13+
InChIKeySIGALYAZUSMZMI-FYWRMAATSA-N
MW281.20 g/mol
LogP3.16
Rot. Bonds2

About (4-bromophenyl)-(1-methylpiperidin-4-yl)methanimine

(4-bromophenyl)-(1-methylpiperidin-4-yl)methanimine (PubChem CID 91473327) has the molecular formula C13H17BrN2 and a molecular weight of 281.20 g/mol. Its IUPAC name is (4-bromophenyl)-(1-methylpiperidin-4-yl)methanimine.

Molecular Properties

Compound Name(4-bromophenyl)-(1-methylpiperidin-4-yl)methanimine
PubChem CID91473327
Molecular FormulaC13H17BrN2
Molecular Weight281.20 g/mol
Exact Mass280.06
IUPAC Name(4-bromophenyl)-(1-methylpiperidin-4-yl)methanimine
SMILES[H]/N=C(\c1ccc(Br)cc1)C1CCN(C)CC1
InChIInChI=1S/C13H17BrN2/c1-16-8-6-11(7-9-16)13(15)10-2-4-12(14)5-3-10/h2-5,11,15H,6-9H2,1H3/b15-13+
InChIKeySIGALYAZUSMZMI-FYWRMAATSA-N
XLogP3.16
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-bromophenyl)-(1-methylpiperidin-4-yl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-bromophenyl)-2-(2-fluoroethyl)-4,5-dihydro-3H-pyridazine
CID 139790844
4-(4-bromophenyl)-1-[(2S)-2-fluoropropyl]piperidine
CID 155412980
(3S,4S)-4-(4-bromophenyl)-1-ethyl-3-fluoropiperidine
CID 155413045
(3R,4R)-4-(4-bromophenyl)-1-ethyl-3-fluoropiperidine
CID 155413958
4-(4-Bromophenyl)-1-(2-fluoropropyl)piperidine
CID 162718493
4-(4-Bromophenyl)-1-ethyl-3-fluoropiperidine
CID 167099838
1-(4-bromophenyl)-N-butylethanimine
CID 15271392
4-[(4-Bromophenyl)methyl]-4-fluoro-1-methylpiperidine
CID 105524757
3-[(4-Bromophenyl)methyl]-3-fluoro-1-methylpiperidine
CID 105524760
4-[(4-Bromophenyl)-fluoromethyl]-1-methylpiperidine
CID 115052308
3-[(4-Bromophenyl)-fluoromethyl]-1-methylpiperidine
CID 115052309
(Z)-2-bromo-1-(4-bromophenyl)-N-piperidin-1-ylethanimine
CID 6390972

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(1-methylpiperidin-4-yl)methanimine?
The IUPAC name of (4-bromophenyl)-(1-methylpiperidin-4-yl)methanimine (CID 91473327) is (4-bromophenyl)-(1-methylpiperidin-4-yl)methanimine.
What is the SMILES notation for (4-bromophenyl)-(1-methylpiperidin-4-yl)methanimine?
The canonical SMILES for (4-bromophenyl)-(1-methylpiperidin-4-yl)methanimine is [H]/N=C(\c1ccc(Br)cc1)C1CCN(C)CC1.
What is the InChIKey of (4-bromophenyl)-(1-methylpiperidin-4-yl)methanimine?
The InChIKey is SIGALYAZUSMZMI-FYWRMAATSA-N. The full InChI is InChI=1S/C13H17BrN2/c1-16-8-6-11(7-9-16)13(15)10-2-4-12(14)5-3-10/h2-5,11,15H,6-9H2,1H3/b15-13+.
What are the key properties of (4-bromophenyl)-(1-methylpiperidin-4-yl)methanimine?
(4-bromophenyl)-(1-methylpiperidin-4-yl)methanimine has a molecular weight of 281.20 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(1-methylpiperidin-4-yl)methanimine is sourced from PubChem (CID 91473327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).