2-(5-chlorothiophen-2-yl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine

C13H21ClN2OS — CID 107390745

IUPAC2-(5-chlorothiophen-2-yl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
SMILESCOC1(C)CCCN(C(CN)c2ccc(Cl)s2)C1
InChIInChI=1S/C13H21ClN2OS/c1-13(17-2)6-3-7-16(9-13)10(8-15)11-4-5-12(14)18-11/h4-5,10H,3,6-9,15H2,1-2H3
InChIKeyGIUDPBXOQGLUFK-UHFFFAOYSA-N
MW288.84 g/mol
LogP2.90
Rot. Bonds4

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

2-(5-chlorothiophen-2-yl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine (PubChem CID 107390745) has the molecular formula C13H21ClN2OS and a molecular weight of 288.84 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
PubChem CID107390745
Molecular FormulaC13H21ClN2OS
Molecular Weight288.84 g/mol
Exact Mass288.11
IUPAC Name2-(5-chlorothiophen-2-yl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
SMILESCOC1(C)CCCN(C(CN)c2ccc(Cl)s2)C1
InChIInChI=1S/C13H21ClN2OS/c1-13(17-2)6-3-7-16(9-13)10(8-15)11-4-5-12(14)18-11/h4-5,10H,3,6-9,15H2,1-2H3
InChIKeyGIUDPBXOQGLUFK-UHFFFAOYSA-N
XLogP2.90
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.84
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107391282
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-(3-methoxy-3-methylpiperidin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 107390770
2-(2-bromo-4-chlorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107391346
2-(5-chlorothiophen-2-yl)-2-(1,4-thiazepan-4-yl)ethanamine
CID 61419378
2-(3,5-dimethylphenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107391351
2-(5-chlorothiophen-2-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
CID 106586033
2-(3-methoxy-3-methylpiperidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine
CID 107391436
2-(3-methoxy-3-methylpiperidin-1-yl)-2-[5-(2-methylcyclopropyl)furan-2-yl]ethanamine
CID 107391309
2-cycloheptyl-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107391216
2-(5-chlorothiophen-2-yl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 43562503

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine (CID 107390745) is 2-(5-chlorothiophen-2-yl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine is COC1(C)CCCN(C(CN)c2ccc(Cl)s2)C1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine?
The InChIKey is GIUDPBXOQGLUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2OS/c1-13(17-2)6-3-7-16(9-13)10(8-15)11-4-5-12(14)18-11/h4-5,10H,3,6-9,15H2,1-2H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine?
2-(5-chlorothiophen-2-yl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine has a molecular weight of 288.84 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 107390745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).