4-[(4-aminopiperidin-1-yl)methyl]-5-methylthiophene-2-carbaldehyde

C12H18N2OS — CID 96592753

IUPAC4-[(4-aminopiperidin-1-yl)methyl]-5-methylthiophene-2-carbaldehyde
SMILESCc1sc(C=O)cc1CN1CCC(N)CC1
InChIInChI=1S/C12H18N2OS/c1-9-10(6-12(8-15)16-9)7-14-4-2-11(13)3-5-14/h6,8,11H,2-5,7,13H2,1H3
InChIKeyKDBCFBORPHOHLX-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.79
Rot. Bonds3

About 4-[(4-aminopiperidin-1-yl)methyl]-5-methylthiophene-2-carbaldehyde

4-[(4-aminopiperidin-1-yl)methyl]-5-methylthiophene-2-carbaldehyde (PubChem CID 96592753) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 4-[(4-aminopiperidin-1-yl)methyl]-5-methylthiophene-2-carbaldehyde.

Molecular Properties

Compound Name4-[(4-aminopiperidin-1-yl)methyl]-5-methylthiophene-2-carbaldehyde
PubChem CID96592753
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name4-[(4-aminopiperidin-1-yl)methyl]-5-methylthiophene-2-carbaldehyde
SMILESCc1sc(C=O)cc1CN1CCC(N)CC1
InChIInChI=1S/C12H18N2OS/c1-9-10(6-12(8-15)16-9)7-14-4-2-11(13)3-5-14/h6,8,11H,2-5,7,13H2,1H3
InChIKeyKDBCFBORPHOHLX-UHFFFAOYSA-N
XLogP1.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(4-aminopiperidin-1-yl)methyl]-5-methylthiophene-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

(3R)-1-[(2,5-dimethylthiophen-3-yl)methyl]pyrrolidin-3-amine
CID 94339879
[5-methyl-4-[(4-methylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine
CID 80727522
3-[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]propanoic acid
CID 65060027
4-[(4-aminopiperidin-1-yl)methyl]-3-methylbenzonitrile
CID 114484783
5-methyl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]thiophene-2-carboxylic acid
CID 103498227
1-[(2-methyl-3-nitrophenyl)methyl]piperidin-4-amine;hydrochloride
CID 119908405
1-[(3-fluoro-2-methylphenyl)methyl]piperidin-4-amine
CID 11368047
3-[(4-aminopiperidin-1-yl)methyl]thiophene-2-carboxylic acid
CID 63641091
[5-methyl-4-[(4-methylsulfanylazepan-1-yl)methyl]thiophen-2-yl]methanamine
CID 114238335
N-methyl-1-[5-methyl-4-[(4-propylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine
CID 80727670
1-[(2-nitrophenyl)methyl]piperidin-4-amine
CID 29009713
5-methyl-4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]thiophene-2-carboxylic acid
CID 80727591

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminopiperidin-1-yl)methyl]-5-methylthiophene-2-carbaldehyde?
The IUPAC name of 4-[(4-aminopiperidin-1-yl)methyl]-5-methylthiophene-2-carbaldehyde (CID 96592753) is 4-[(4-aminopiperidin-1-yl)methyl]-5-methylthiophene-2-carbaldehyde.
What is the SMILES notation for 4-[(4-aminopiperidin-1-yl)methyl]-5-methylthiophene-2-carbaldehyde?
The canonical SMILES for 4-[(4-aminopiperidin-1-yl)methyl]-5-methylthiophene-2-carbaldehyde is Cc1sc(C=O)cc1CN1CCC(N)CC1.
What is the InChIKey of 4-[(4-aminopiperidin-1-yl)methyl]-5-methylthiophene-2-carbaldehyde?
The InChIKey is KDBCFBORPHOHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-9-10(6-12(8-15)16-9)7-14-4-2-11(13)3-5-14/h6,8,11H,2-5,7,13H2,1H3.
What are the key properties of 4-[(4-aminopiperidin-1-yl)methyl]-5-methylthiophene-2-carbaldehyde?
4-[(4-aminopiperidin-1-yl)methyl]-5-methylthiophene-2-carbaldehyde has a molecular weight of 238.36 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminopiperidin-1-yl)methyl]-5-methylthiophene-2-carbaldehyde is sourced from PubChem (CID 96592753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).