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

C14H24N2OS — CID 107395657

IUPAC2-(3-methoxy-3-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)ethanamine
SMILESCOC1(C)CCCN(CCNCc2cccs2)C1
InChIInChI=1S/C14H24N2OS/c1-14(17-2)6-4-8-16(12-14)9-7-15-11-13-5-3-10-18-13/h3,5,10,15H,4,6-9,11-12H2,1-2H3
InChIKeyXGLOYKKADJAKNI-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.34
Rot. Bonds6

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

2-(3-methoxy-3-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 107395657) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 2-(3-methoxy-3-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3-methoxy-3-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID107395657
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name2-(3-methoxy-3-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)ethanamine
SMILESCOC1(C)CCCN(CCNCc2cccs2)C1
InChIInChI=1S/C14H24N2OS/c1-14(17-2)6-4-8-16(12-14)9-7-15-11-13-5-3-10-18-13/h3,5,10,15H,4,6-9,11-12H2,1-2H3
InChIKeyXGLOYKKADJAKNI-UHFFFAOYSA-N
XLogP2.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-azaspiro[4.4]nonan-2-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 114279581
2-(3-methoxy-3-methylpiperidin-1-yl)-N-methylethanamine
CID 107391084
N-(cyclopropylmethyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107393244
N-[2-(4,4-dimethylazepan-1-yl)ethyl]-2-thiophen-2-ylethanamine
CID 65286429
3-piperidin-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 28657357
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 103992175
N-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylethanamine
CID 60695335
N-[(1-methylcyclohexyl)methyl]-1-thiophen-2-ylmethanamine
CID 103753045
N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-thiophen-2-ylethanamine
CID 63217965
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 79924900
N,N,4-trimethyl-1-[2-(thiophen-2-ylmethylamino)ethyl]pyrrolidin-3-amine
CID 81469991
[4-[2-(3-methoxy-3-methylpiperidin-1-yl)ethoxy]phenyl]boronic acid
CID 107394501

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-3-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of 2-(3-methoxy-3-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)ethanamine (CID 107395657) is 2-(3-methoxy-3-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3-methoxy-3-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(3-methoxy-3-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)ethanamine is COC1(C)CCCN(CCNCc2cccs2)C1.
What is the InChIKey of 2-(3-methoxy-3-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is XGLOYKKADJAKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-14(17-2)6-4-8-16(12-14)9-7-15-11-13-5-3-10-18-13/h3,5,10,15H,4,6-9,11-12H2,1-2H3.
What are the key properties of 2-(3-methoxy-3-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)ethanamine?
2-(3-methoxy-3-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 268.43 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-3-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 107395657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).