1-[(5-bromothiophen-3-yl)methyl]piperidine-2-carbaldehyde

C11H14BrNOS — CID 62655513

IUPAC1-[(5-bromothiophen-3-yl)methyl]piperidine-2-carbaldehyde
SMILESO=CC1CCCCN1Cc1csc(Br)c1
InChIInChI=1S/C11H14BrNOS/c12-11-5-9(8-15-11)6-13-4-2-1-3-10(13)7-14/h5,7-8,10H,1-4,6H2
InChIKeySJBUYPAJKWRQPE-UHFFFAOYSA-N
MW288.21 g/mol
LogP3.06
Rot. Bonds3

About 1-[(5-bromothiophen-3-yl)methyl]piperidine-2-carbaldehyde

1-[(5-bromothiophen-3-yl)methyl]piperidine-2-carbaldehyde (PubChem CID 62655513) has the molecular formula C11H14BrNOS and a molecular weight of 288.21 g/mol. Its IUPAC name is 1-[(5-bromothiophen-3-yl)methyl]piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-[(5-bromothiophen-3-yl)methyl]piperidine-2-carbaldehyde
PubChem CID62655513
Molecular FormulaC11H14BrNOS
Molecular Weight288.21 g/mol
Exact Mass287.00
IUPAC Name1-[(5-bromothiophen-3-yl)methyl]piperidine-2-carbaldehyde
SMILESO=CC1CCCCN1Cc1csc(Br)c1
InChIInChI=1S/C11H14BrNOS/c12-11-5-9(8-15-11)6-13-4-2-1-3-10(13)7-14/h5,7-8,10H,1-4,6H2
InChIKeySJBUYPAJKWRQPE-UHFFFAOYSA-N
XLogP3.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(5-bromothiophen-3-yl)methyl]piperidine-2-carbaldehyde 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

1-[(5-bromothiophen-3-yl)methyl]azepane-2-carboxylic acid
CID 64563360
[1-[(5-bromothiophen-3-yl)methyl]azepan-2-yl]methanol
CID 116637681
methyl (2R)-1-[(5-bromothiophen-3-yl)methyl]piperidine-2-carboxylate
CID 79833060
1-[(3,5-difluorophenyl)methyl]piperidine-2-carbaldehyde
CID 105408633
1-[(4-methylphenyl)methyl]piperidine-2-carbaldehyde
CID 62655332
1-[(5-bromothiophen-3-yl)methyl]azocane
CID 52623640
1-[(4-bromo-2,5-dimethoxyphenyl)methyl]piperidine-2-carbaldehyde
CID 62654782
1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]piperidine-2-carbaldehyde
CID 62656619
(3R)-1-[(5-bromothiophen-3-yl)methyl]piperidin-3-amine
CID 102977244
2-[(5-bromothiophen-3-yl)methyl]-1,2-thiazolidine 1,1-dioxide
CID 47293917
8-[(5-bromothiophen-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61234821
1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidine-2-carbaldehyde
CID 62655523

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-3-yl)methyl]piperidine-2-carbaldehyde?
The IUPAC name of 1-[(5-bromothiophen-3-yl)methyl]piperidine-2-carbaldehyde (CID 62655513) is 1-[(5-bromothiophen-3-yl)methyl]piperidine-2-carbaldehyde.
What is the SMILES notation for 1-[(5-bromothiophen-3-yl)methyl]piperidine-2-carbaldehyde?
The canonical SMILES for 1-[(5-bromothiophen-3-yl)methyl]piperidine-2-carbaldehyde is O=CC1CCCCN1Cc1csc(Br)c1.
What is the InChIKey of 1-[(5-bromothiophen-3-yl)methyl]piperidine-2-carbaldehyde?
The InChIKey is SJBUYPAJKWRQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNOS/c12-11-5-9(8-15-11)6-13-4-2-1-3-10(13)7-14/h5,7-8,10H,1-4,6H2.
What are the key properties of 1-[(5-bromothiophen-3-yl)methyl]piperidine-2-carbaldehyde?
1-[(5-bromothiophen-3-yl)methyl]piperidine-2-carbaldehyde has a molecular weight of 288.21 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-3-yl)methyl]piperidine-2-carbaldehyde is sourced from PubChem (CID 62655513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).