2-methyl-2-(4-methylpiperidin-1-yl)-3-thiophen-3-ylpropan-1-amine

C14H24N2S — CID 84752136

IUPAC2-methyl-2-(4-methylpiperidin-1-yl)-3-thiophen-3-ylpropan-1-amine
SMILESCC1CCN(C(C)(CN)Cc2ccsc2)CC1
InChIInChI=1S/C14H24N2S/c1-12-3-6-16(7-4-12)14(2,11-15)9-13-5-8-17-10-13/h5,8,10,12H,3-4,6-7,9,11,15H2,1-2H3
InChIKeyPXPWQCYNGCSYBL-UHFFFAOYSA-N
MW252.43 g/mol
LogP2.74
Rot. Bonds4

About 2-methyl-2-(4-methylpiperidin-1-yl)-3-thiophen-3-ylpropan-1-amine

2-methyl-2-(4-methylpiperidin-1-yl)-3-thiophen-3-ylpropan-1-amine (PubChem CID 84752136) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 2-methyl-2-(4-methylpiperidin-1-yl)-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(4-methylpiperidin-1-yl)-3-thiophen-3-ylpropan-1-amine
PubChem CID84752136
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name2-methyl-2-(4-methylpiperidin-1-yl)-3-thiophen-3-ylpropan-1-amine
SMILESCC1CCN(C(C)(CN)Cc2ccsc2)CC1
InChIInChI=1S/C14H24N2S/c1-12-3-6-16(7-4-12)14(2,11-15)9-13-5-8-17-10-13/h5,8,10,12H,3-4,6-7,9,11,15H2,1-2H3
InChIKeyPXPWQCYNGCSYBL-UHFFFAOYSA-N
XLogP2.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-methylpiperidin-1-yl)-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of 2-methyl-2-(4-methylpiperidin-1-yl)-3-thiophen-3-ylpropan-1-amine (CID 84752136) is 2-methyl-2-(4-methylpiperidin-1-yl)-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-2-(4-methylpiperidin-1-yl)-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 2-methyl-2-(4-methylpiperidin-1-yl)-3-thiophen-3-ylpropan-1-amine is CC1CCN(C(C)(CN)Cc2ccsc2)CC1.
What is the InChIKey of 2-methyl-2-(4-methylpiperidin-1-yl)-3-thiophen-3-ylpropan-1-amine?
The InChIKey is PXPWQCYNGCSYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-12-3-6-16(7-4-12)14(2,11-15)9-13-5-8-17-10-13/h5,8,10,12H,3-4,6-7,9,11,15H2,1-2H3.
What are the key properties of 2-methyl-2-(4-methylpiperidin-1-yl)-3-thiophen-3-ylpropan-1-amine?
2-methyl-2-(4-methylpiperidin-1-yl)-3-thiophen-3-ylpropan-1-amine has a molecular weight of 252.43 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methylpiperidin-1-yl)-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 84752136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).