2-methoxy-N-[(1-methylpiperidin-2-yl)methyl]-N-(thiophen-3-ylmethyl)ethanamine

C15H26N2OS — CID 91836833

IUPAC2-methoxy-N-[(1-methylpiperidin-2-yl)methyl]-N-(thiophen-3-ylmethyl)ethanamine
SMILESCOCCN(Cc1ccsc1)CC1CCCCN1C
InChIInChI=1S/C15H26N2OS/c1-16-7-4-3-5-15(16)12-17(8-9-18-2)11-14-6-10-19-13-14/h6,10,13,15H,3-5,7-9,11-12H2,1-2H3
InChIKeyPSEPTTPLRUTHIH-UHFFFAOYSA-N
MW282.45 g/mol
LogP2.68
Rot. Bonds7

About 2-methoxy-N-[(1-methylpiperidin-2-yl)methyl]-N-(thiophen-3-ylmethyl)ethanamine

2-methoxy-N-[(1-methylpiperidin-2-yl)methyl]-N-(thiophen-3-ylmethyl)ethanamine (PubChem CID 91836833) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 2-methoxy-N-[(1-methylpiperidin-2-yl)methyl]-N-(thiophen-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(1-methylpiperidin-2-yl)methyl]-N-(thiophen-3-ylmethyl)ethanamine
PubChem CID91836833
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name2-methoxy-N-[(1-methylpiperidin-2-yl)methyl]-N-(thiophen-3-ylmethyl)ethanamine
SMILESCOCCN(Cc1ccsc1)CC1CCCCN1C
InChIInChI=1S/C15H26N2OS/c1-16-7-4-3-5-15(16)12-17(8-9-18-2)11-14-6-10-19-13-14/h6,10,13,15H,3-5,7-9,11-12H2,1-2H3
InChIKeyPSEPTTPLRUTHIH-UHFFFAOYSA-N
XLogP2.68
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1-methylpiperidin-2-yl)methyl]-N-(thiophen-3-ylmethyl)ethanamine?
The IUPAC name of 2-methoxy-N-[(1-methylpiperidin-2-yl)methyl]-N-(thiophen-3-ylmethyl)ethanamine (CID 91836833) is 2-methoxy-N-[(1-methylpiperidin-2-yl)methyl]-N-(thiophen-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-methoxy-N-[(1-methylpiperidin-2-yl)methyl]-N-(thiophen-3-ylmethyl)ethanamine?
The canonical SMILES for 2-methoxy-N-[(1-methylpiperidin-2-yl)methyl]-N-(thiophen-3-ylmethyl)ethanamine is COCCN(Cc1ccsc1)CC1CCCCN1C.
What is the InChIKey of 2-methoxy-N-[(1-methylpiperidin-2-yl)methyl]-N-(thiophen-3-ylmethyl)ethanamine?
The InChIKey is PSEPTTPLRUTHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-16-7-4-3-5-15(16)12-17(8-9-18-2)11-14-6-10-19-13-14/h6,10,13,15H,3-5,7-9,11-12H2,1-2H3.
What are the key properties of 2-methoxy-N-[(1-methylpiperidin-2-yl)methyl]-N-(thiophen-3-ylmethyl)ethanamine?
2-methoxy-N-[(1-methylpiperidin-2-yl)methyl]-N-(thiophen-3-ylmethyl)ethanamine has a molecular weight of 282.45 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1-methylpiperidin-2-yl)methyl]-N-(thiophen-3-ylmethyl)ethanamine is sourced from PubChem (CID 91836833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).