2-(5-ethylthiophen-2-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine

C15H26N2OS — CID 102964934

IUPAC2-(5-ethylthiophen-2-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
SMILESCCc1ccc(C(CN)N2CCC(C)C(OC)C2)s1
InChIInChI=1S/C15H26N2OS/c1-4-12-5-6-15(19-12)13(9-16)17-8-7-11(2)14(10-17)18-3/h5-6,11,13-14H,4,7-10,16H2,1-3H3
InChIKeyMWKMNWLWFKFBEU-UHFFFAOYSA-N
MW282.45 g/mol
LogP2.67
Rot. Bonds5

About 2-(5-ethylthiophen-2-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine

2-(5-ethylthiophen-2-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine (PubChem CID 102964934) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
PubChem CID102964934
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name2-(5-ethylthiophen-2-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
SMILESCCc1ccc(C(CN)N2CCC(C)C(OC)C2)s1
InChIInChI=1S/C15H26N2OS/c1-4-12-5-6-15(19-12)13(9-16)17-8-7-11(2)14(10-17)18-3/h5-6,11,13-14H,4,7-10,16H2,1-3H3
InChIKeyMWKMNWLWFKFBEU-UHFFFAOYSA-N
XLogP2.67
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine (CID 102964934) is 2-(5-ethylthiophen-2-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine is CCc1ccc(C(CN)N2CCC(C)C(OC)C2)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine?
The InChIKey is MWKMNWLWFKFBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-4-12-5-6-15(19-12)13(9-16)17-8-7-11(2)14(10-17)18-3/h5-6,11,13-14H,4,7-10,16H2,1-3H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine?
2-(5-ethylthiophen-2-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine has a molecular weight of 282.45 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 102964934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).