2-(3-methoxy-3-methylpiperidin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine

C14H24N2OS — CID 107390770

IUPAC2-(3-methoxy-3-methylpiperidin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine
SMILESCOC1(C)CCCN(C(CN)c2sccc2C)C1
InChIInChI=1S/C14H24N2OS/c1-11-5-8-18-13(11)12(9-15)16-7-4-6-14(2,10-16)17-3/h5,8,12H,4,6-7,9-10,15H2,1-3H3
InChIKeyASAPDYFVWVLVKE-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.56
Rot. Bonds4

About 2-(3-methoxy-3-methylpiperidin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine

2-(3-methoxy-3-methylpiperidin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine (PubChem CID 107390770) 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)-2-(3-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-methoxy-3-methylpiperidin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine
PubChem CID107390770
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name2-(3-methoxy-3-methylpiperidin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine
SMILESCOC1(C)CCCN(C(CN)c2sccc2C)C1
InChIInChI=1S/C14H24N2OS/c1-11-5-8-18-13(11)12(9-15)16-7-4-6-14(2,10-16)17-3/h5,8,12H,4,6-7,9-10,15H2,1-3H3
InChIKeyASAPDYFVWVLVKE-UHFFFAOYSA-N
XLogP2.56
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,2-dimethylpyrrolidin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 63216264
2-(3,5-dimethylphenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107391351
2-(4-bromophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107390778
2-(3-methoxy-3-methylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanamine
CID 107390754
2-(5-chlorothiophen-2-yl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107390745
2-(2,4-dichlorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107391282
2-(2-bromo-4-chlorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107391346
4-[2-amino-1-(3-methylthiophen-2-yl)ethyl]-1,4-diazepan-2-one
CID 65361566
2-[4-(methoxymethyl)piperidin-1-yl]-2-(3-methylthiophen-2-yl)ethanamine
CID 63972078
2-(3-methoxy-3-methylpiperidin-1-yl)-2-[5-(2-methylcyclopropyl)furan-2-yl]ethanamine
CID 107391309
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 113335529
2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 114462344

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-3-methylpiperidin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(3-methoxy-3-methylpiperidin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine (CID 107390770) is 2-(3-methoxy-3-methylpiperidin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(3-methoxy-3-methylpiperidin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(3-methoxy-3-methylpiperidin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine is COC1(C)CCCN(C(CN)c2sccc2C)C1.
What is the InChIKey of 2-(3-methoxy-3-methylpiperidin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine?
The InChIKey is ASAPDYFVWVLVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-11-5-8-18-13(11)12(9-15)16-7-4-6-14(2,10-16)17-3/h5,8,12H,4,6-7,9-10,15H2,1-3H3.
What are the key properties of 2-(3-methoxy-3-methylpiperidin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine?
2-(3-methoxy-3-methylpiperidin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine has a molecular weight of 268.43 g/mol, XLogP of 2.56, 4 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)-2-(3-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 107390770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).