N-ethyl-3-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)piperidin-4-amine

C16H28N2S — CID 80527196

IUPACN-ethyl-3-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)piperidin-4-amine
SMILESCCNC1CCN(CC(C)(C)c2cccs2)CC1C
InChIInChI=1S/C16H28N2S/c1-5-17-14-8-9-18(11-13(14)2)12-16(3,4)15-7-6-10-19-15/h6-7,10,13-14,17H,5,8-9,11-12H2,1-4H3
InChIKeyVBTIDLQGULATHK-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.35
Rot. Bonds5

About N-ethyl-3-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)piperidin-4-amine

N-ethyl-3-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)piperidin-4-amine (PubChem CID 80527196) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)piperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)piperidin-4-amine
PubChem CID80527196
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC NameN-ethyl-3-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)piperidin-4-amine
SMILESCCNC1CCN(CC(C)(C)c2cccs2)CC1C
InChIInChI=1S/C16H28N2S/c1-5-17-14-8-9-18(11-13(14)2)12-16(3,4)15-7-6-10-19-15/h6-7,10,13-14,17H,5,8-9,11-12H2,1-4H3
InChIKeyVBTIDLQGULATHK-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)piperidin-4-amine?
The IUPAC name of N-ethyl-3-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)piperidin-4-amine (CID 80527196) is N-ethyl-3-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)piperidin-4-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)piperidin-4-amine?
The canonical SMILES for N-ethyl-3-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)piperidin-4-amine is CCNC1CCN(CC(C)(C)c2cccs2)CC1C.
What is the InChIKey of N-ethyl-3-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)piperidin-4-amine?
The InChIKey is VBTIDLQGULATHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-5-17-14-8-9-18(11-13(14)2)12-16(3,4)15-7-6-10-19-15/h6-7,10,13-14,17H,5,8-9,11-12H2,1-4H3.
What are the key properties of N-ethyl-3-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)piperidin-4-amine?
N-ethyl-3-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)piperidin-4-amine has a molecular weight of 280.48 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)piperidin-4-amine is sourced from PubChem (CID 80527196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).