1-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N,N-dimethylpiperidin-4-amine

C17H25N3S — CID 62434463

IUPAC1-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(Cc2c(CN)sc3ccccc23)CC1
InChIInChI=1S/C17H25N3S/c1-19(2)13-7-9-20(10-8-13)12-15-14-5-3-4-6-16(14)21-17(15)11-18/h3-6,13H,7-12,18H2,1-2H3
InChIKeyAJYSYHOSQXXRFG-UHFFFAOYSA-N
MW303.47 g/mol
LogP2.89
Rot. Bonds4

About 1-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N,N-dimethylpiperidin-4-amine

1-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 62434463) has the molecular formula C17H25N3S and a molecular weight of 303.47 g/mol. Its IUPAC name is 1-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N,N-dimethylpiperidin-4-amine
PubChem CID62434463
Molecular FormulaC17H25N3S
Molecular Weight303.47 g/mol
Exact Mass303.18
IUPAC Name1-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(Cc2c(CN)sc3ccccc23)CC1
InChIInChI=1S/C17H25N3S/c1-19(2)13-7-9-20(10-8-13)12-15-14-5-3-4-6-16(14)21-17(15)11-18/h3-6,13H,7-12,18H2,1-2H3
InChIKeyAJYSYHOSQXXRFG-UHFFFAOYSA-N
XLogP2.89
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N,N-dimethylpiperidin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N,N-dimethylpiperidin-4-amine (CID 62434463) is 1-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(Cc2c(CN)sc3ccccc23)CC1.
What is the InChIKey of 1-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is AJYSYHOSQXXRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-19(2)13-7-9-20(10-8-13)12-15-14-5-3-4-6-16(14)21-17(15)11-18/h3-6,13H,7-12,18H2,1-2H3.
What are the key properties of 1-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N,N-dimethylpiperidin-4-amine?
1-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 303.47 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 62434463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).