N-ethyl-2,3-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-amine

C16H28N2S — CID 79407166

IUPACN-ethyl-2,3-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-amine
SMILESCCNC1CCN(C(C)Cc2cccs2)C(C)C1C
InChIInChI=1S/C16H28N2S/c1-5-17-16-8-9-18(14(4)13(16)3)12(2)11-15-7-6-10-19-15/h6-7,10,12-14,16-17H,5,8-9,11H2,1-4H3
InChIKeyUALKUBDTFUBPKT-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.39
Rot. Bonds5

About N-ethyl-2,3-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-amine

N-ethyl-2,3-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-amine (PubChem CID 79407166) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is N-ethyl-2,3-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2,3-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-amine
PubChem CID79407166
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC NameN-ethyl-2,3-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-amine
SMILESCCNC1CCN(C(C)Cc2cccs2)C(C)C1C
InChIInChI=1S/C16H28N2S/c1-5-17-16-8-9-18(14(4)13(16)3)12(2)11-15-7-6-10-19-15/h6-7,10,12-14,16-17H,5,8-9,11H2,1-4H3
InChIKeyUALKUBDTFUBPKT-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[1-(furan-2-yl)propan-2-yl]-2,3-dimethylpiperidin-4-amine
CID 79397893
N-ethyl-2-methyl-1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-amine
CID 55172141
2,3-dimethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-N-propylpiperidin-4-amine
CID 79413585
N,3-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-amine
CID 55171951
N-ethyl-8-(1-thiophen-2-ylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 63292313
N,2,3-trimethyl-1-(1-thiophen-2-ylpropyl)piperidin-4-amine
CID 79406850
N-ethyl-1-[1-(2-fluorophenyl)ethyl]-2,3-dimethylpiperidin-4-amine
CID 79407253
1-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79396947
2-methyl-1-(1-thiophen-2-ylpropan-2-yl)piperazine
CID 64930534
N-ethyl-2,3-dimethyl-1-(1-methylsulfonylpropan-2-yl)piperidin-4-amine
CID 79406765
N-[[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 63292127
[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methanol
CID 64867112

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,3-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-amine?
The IUPAC name of N-ethyl-2,3-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-amine (CID 79407166) is N-ethyl-2,3-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-amine.
What is the SMILES notation for N-ethyl-2,3-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-amine?
The canonical SMILES for N-ethyl-2,3-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-amine is CCNC1CCN(C(C)Cc2cccs2)C(C)C1C.
What is the InChIKey of N-ethyl-2,3-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-amine?
The InChIKey is UALKUBDTFUBPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-5-17-16-8-9-18(14(4)13(16)3)12(2)11-15-7-6-10-19-15/h6-7,10,12-14,16-17H,5,8-9,11H2,1-4H3.
What are the key properties of N-ethyl-2,3-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-amine?
N-ethyl-2,3-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-amine has a molecular weight of 280.48 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-amine is sourced from PubChem (CID 79407166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).