1-(1-ethylpiperidin-4-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine

C16H28N2S — CID 61473504

IUPAC1-(1-ethylpiperidin-4-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
SMILESCCN1CCC(C(C)NC(C)c2ccc(C)s2)CC1
InChIInChI=1S/C16H28N2S/c1-5-18-10-8-15(9-11-18)13(3)17-14(4)16-7-6-12(2)19-16/h6-7,13-15,17H,5,8-11H2,1-4H3
InChIKeyYBTWUJAEXIFFHA-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.83
Rot. Bonds5

About 1-(1-ethylpiperidin-4-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine

1-(1-ethylpiperidin-4-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine (PubChem CID 61473504) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-4-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(1-ethylpiperidin-4-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
PubChem CID61473504
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name1-(1-ethylpiperidin-4-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
SMILESCCN1CCC(C(C)NC(C)c2ccc(C)s2)CC1
InChIInChI=1S/C16H28N2S/c1-5-18-10-8-15(9-11-18)13(3)17-14(4)16-7-6-12(2)19-16/h6-7,13-15,17H,5,8-11H2,1-4H3
InChIKeyYBTWUJAEXIFFHA-UHFFFAOYSA-N
XLogP3.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-cyclohexyl-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 81384118
1-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]ethanamine
CID 81349060
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine
CID 43692479
1-(1-ethylpiperidin-4-yl)-N-[(1S)-1-(3-methylphenyl)ethyl]ethanamine
CID 81363743
1-cyclohexyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 63477674
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(1-ethylpiperidin-4-yl)ethanamine
CID 81377394
4-[1-[1-(1-ethylpiperidin-4-yl)ethylamino]ethyl]benzonitrile
CID 43692381
N-[1-(1-ethylpiperidin-4-yl)ethyl]-1-phenylbutan-1-amine
CID 43720301
2-cyclopropyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 115713828
N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 24705103
(1S)-N-[1-(5-bromothiophen-2-yl)ethyl]-1-cyclohexylethanamine
CID 81386958
1-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-2-amine
CID 115901716

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-4-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(1-ethylpiperidin-4-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine (CID 61473504) is 1-(1-ethylpiperidin-4-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(1-ethylpiperidin-4-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(1-ethylpiperidin-4-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine is CCN1CCC(C(C)NC(C)c2ccc(C)s2)CC1.
What is the InChIKey of 1-(1-ethylpiperidin-4-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine?
The InChIKey is YBTWUJAEXIFFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-5-18-10-8-15(9-11-18)13(3)17-14(4)16-7-6-12(2)19-16/h6-7,13-15,17H,5,8-11H2,1-4H3.
What are the key properties of 1-(1-ethylpiperidin-4-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine?
1-(1-ethylpiperidin-4-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine has a molecular weight of 280.48 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-4-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine is sourced from PubChem (CID 61473504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).