2-(2-bromophenyl)-3-(1-methylpiperidin-2-yl)propanal

C15H20BrNO — CID 174524914

IUPAC2-(2-bromophenyl)-3-(1-methylpiperidin-2-yl)propanal
SMILESCN1CCCCC1CC(C=O)c1ccccc1Br
InChIInChI=1S/C15H20BrNO/c1-17-9-5-4-6-13(17)10-12(11-18)14-7-2-3-8-15(14)16/h2-3,7-8,11-13H,4-6,9-10H2,1H3
InChIKeyCBWIYZCKQIMOLD-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.61
Rot. Bonds4

About 2-(2-bromophenyl)-3-(1-methylpiperidin-2-yl)propanal

2-(2-bromophenyl)-3-(1-methylpiperidin-2-yl)propanal (PubChem CID 174524914) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is 2-(2-bromophenyl)-3-(1-methylpiperidin-2-yl)propanal.

Molecular Properties

Compound Name2-(2-bromophenyl)-3-(1-methylpiperidin-2-yl)propanal
PubChem CID174524914
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC Name2-(2-bromophenyl)-3-(1-methylpiperidin-2-yl)propanal
SMILESCN1CCCCC1CC(C=O)c1ccccc1Br
InChIInChI=1S/C15H20BrNO/c1-17-9-5-4-6-13(17)10-12(11-18)14-7-2-3-8-15(14)16/h2-3,7-8,11-13H,4-6,9-10H2,1H3
InChIKeyCBWIYZCKQIMOLD-UHFFFAOYSA-N
XLogP3.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-bromophenyl)-3-(1-methylpiperidin-2-yl)propanal 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

(1R)-2-[(2R)-1-methylpiperidin-2-yl]-1-phenylethanol;hydrochloride
CID 24842687
1-(2-bromophenyl)-3-(2-ethylazepan-1-yl)-N-methylpropan-1-amine
CID 104691933
(1S)-1-(2-bromophenyl)-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanol
CID 97326124
N-ethyl-2-(1-methylpiperidin-2-yl)-1-phenylethanamine
CID 57173334
1-(1-methylazepan-2-yl)propan-2-ol
CID 114338740
(2R)-2-ethyl-1-methylpiperidine
CID 67552955
1-methyl-2-(2-methylpropyl)azepane
CID 130636029
(2S)-2-[(2S)-2-(methoxymethoxy)-2-phenylethyl]-1-methylpiperidine
CID 11708725
N-(2-ethylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110857732
1-(2-bromophenyl)-1-(3-ethyl-4-methylpiperazin-1-yl)propan-2-amine
CID 63605563
4-ethyl-2-[2-(1-methylpiperidin-2-yl)-1-phenylethyl]phenol;hydron;bromide
CID 157458003
4-methoxy-N-[2-[1-(1-methylpiperidin-2-yl)propan-2-yl]phenyl]benzamide
CID 20560090

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-3-(1-methylpiperidin-2-yl)propanal?
The IUPAC name of 2-(2-bromophenyl)-3-(1-methylpiperidin-2-yl)propanal (CID 174524914) is 2-(2-bromophenyl)-3-(1-methylpiperidin-2-yl)propanal.
What is the SMILES notation for 2-(2-bromophenyl)-3-(1-methylpiperidin-2-yl)propanal?
The canonical SMILES for 2-(2-bromophenyl)-3-(1-methylpiperidin-2-yl)propanal is CN1CCCCC1CC(C=O)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-3-(1-methylpiperidin-2-yl)propanal?
The InChIKey is CBWIYZCKQIMOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-17-9-5-4-6-13(17)10-12(11-18)14-7-2-3-8-15(14)16/h2-3,7-8,11-13H,4-6,9-10H2,1H3.
What are the key properties of 2-(2-bromophenyl)-3-(1-methylpiperidin-2-yl)propanal?
2-(2-bromophenyl)-3-(1-methylpiperidin-2-yl)propanal has a molecular weight of 310.23 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-3-(1-methylpiperidin-2-yl)propanal is sourced from PubChem (CID 174524914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).