2-(3,5-dimethylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine

C14H24N2S — CID 43146839

IUPAC2-(3,5-dimethylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(CN)N2CC(C)CC(C)C2)s1
InChIInChI=1S/C14H24N2S/c1-10-6-11(2)9-16(8-10)13(7-15)14-5-4-12(3)17-14/h4-5,10-11,13H,6-9,15H2,1-3H3
InChIKeyPOAWHBISEANHOL-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.03
Rot. Bonds3

About 2-(3,5-dimethylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine

2-(3,5-dimethylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine (PubChem CID 43146839) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine
PubChem CID43146839
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(CN)N2CC(C)CC(C)C2)s1
InChIInChI=1S/C14H24N2S/c1-10-6-11(2)9-16(8-10)13(7-15)14-5-4-12(3)17-14/h4-5,10-11,13H,6-9,15H2,1-3H3
InChIKeyPOAWHBISEANHOL-UHFFFAOYSA-N
XLogP3.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine (CID 43146839) is 2-(3,5-dimethylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine is Cc1ccc(C(CN)N2CC(C)CC(C)C2)s1.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine?
The InChIKey is POAWHBISEANHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-10-6-11(2)9-16(8-10)13(7-15)14-5-4-12(3)17-14/h4-5,10-11,13H,6-9,15H2,1-3H3.
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine?
2-(3,5-dimethylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine has a molecular weight of 252.43 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 43146839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).