N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-thiophen-2-ylmethanamine

C13H22N2S — CID 103992175

IUPACN-[(1,4-dimethylpiperidin-4-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCN1CCC(C)(CNCc2cccs2)CC1
InChIInChI=1S/C13H22N2S/c1-13(5-7-15(2)8-6-13)11-14-10-12-4-3-9-16-12/h3-4,9,14H,5-8,10-11H2,1-2H3
InChIKeyIRFGZZHWALBDND-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.57
Rot. Bonds4

About N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-thiophen-2-ylmethanamine

N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-thiophen-2-ylmethanamine (PubChem CID 103992175) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-1-thiophen-2-ylmethanamine
PubChem CID103992175
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCN1CCC(C)(CNCc2cccs2)CC1
InChIInChI=1S/C13H22N2S/c1-13(5-7-15(2)8-6-13)11-14-10-12-4-3-9-16-12/h3-4,9,14H,5-8,10-11H2,1-2H3
InChIKeyIRFGZZHWALBDND-UHFFFAOYSA-N
XLogP2.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-thiophen-2-ylmethanamine 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 N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-thiophen-2-ylmethanamine (CID 103992175) is N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-thiophen-2-ylmethanamine is CN1CCC(C)(CNCc2cccs2)CC1.
What is the InChIKey of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is IRFGZZHWALBDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-13(5-7-15(2)8-6-13)11-14-10-12-4-3-9-16-12/h3-4,9,14H,5-8,10-11H2,1-2H3.
What are the key properties of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-thiophen-2-ylmethanamine?
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-thiophen-2-ylmethanamine has a molecular weight of 238.40 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 103992175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).