2-(5-chlorothiophen-2-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine

C13H21ClN2OS — CID 106586033

IUPAC2-(5-chlorothiophen-2-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
SMILESCOCC1CCCN(C(CN)c2ccc(Cl)s2)C1
InChIInChI=1S/C13H21ClN2OS/c1-17-9-10-3-2-6-16(8-10)11(7-15)12-4-5-13(14)18-12/h4-5,10-11H,2-3,6-9,15H2,1H3
InChIKeyLZPHFWIYWXCZJN-UHFFFAOYSA-N
MW288.84 g/mol
LogP2.76
Rot. Bonds5

About 2-(5-chlorothiophen-2-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine

2-(5-chlorothiophen-2-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine (PubChem CID 106586033) 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-(methoxymethyl)piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
PubChem CID106586033
Molecular FormulaC13H21ClN2OS
Molecular Weight288.84 g/mol
Exact Mass288.11
IUPAC Name2-(5-chlorothiophen-2-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
SMILESCOCC1CCCN(C(CN)c2ccc(Cl)s2)C1
InChIInChI=1S/C13H21ClN2OS/c1-17-9-10-3-2-6-16(8-10)11(7-15)12-4-5-13(14)18-12/h4-5,10-11H,2-3,6-9,15H2,1H3
InChIKeyLZPHFWIYWXCZJN-UHFFFAOYSA-N
XLogP2.76
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.84
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-5-chlorothiophen-2-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
CID 106586432
2-[3-(methoxymethyl)piperidin-1-yl]-2-(4-propan-2-ylphenyl)ethanamine
CID 106586372
2-[4-(difluoromethyl)phenyl]-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
CID 106586267
1-[1-(5-chlorothiophen-2-yl)ethyl]piperidin-3-amine
CID 61297752
2-(5-chlorothiophen-2-yl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107390745
N-[[1-[1-(5-chlorothiophen-2-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 63240776
2-(5-chlorothiophen-2-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine
CID 63603631
2-(5-chlorothiophen-2-yl)-2-(1,4-thiazepan-4-yl)ethanamine
CID 61419378
2-(5-chlorothiophen-2-yl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 43562503
2-(3-bromo-4-methylphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
CID 106586275
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(5-chlorothiophen-2-yl)ethanamine
CID 102725518
2-(5-chlorothiophen-2-yl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 43146867

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine (CID 106586033) is 2-(5-chlorothiophen-2-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine is COCC1CCCN(C(CN)c2ccc(Cl)s2)C1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine?
The InChIKey is LZPHFWIYWXCZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2OS/c1-17-9-10-3-2-6-16(8-10)11(7-15)12-4-5-13(14)18-12/h4-5,10-11H,2-3,6-9,15H2,1H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine?
2-(5-chlorothiophen-2-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine has a molecular weight of 288.84 g/mol, XLogP of 2.76, 5 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-(methoxymethyl)piperidin-1-yl]ethanamine is sourced from PubChem (CID 106586033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).