3-ethyl-1-(2-thiophen-2-ylethyl)piperidin-4-amine

C13H22N2S — CID 81459742

IUPAC3-ethyl-1-(2-thiophen-2-ylethyl)piperidin-4-amine
SMILESCCC1CN(CCc2cccs2)CCC1N
InChIInChI=1S/C13H22N2S/c1-2-11-10-15(8-6-13(11)14)7-5-12-4-3-9-16-12/h3-4,9,11,13H,2,5-8,10,14H2,1H3
InChIKeyBYLXOVIVYIJYOQ-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.35
Rot. Bonds4

About 3-ethyl-1-(2-thiophen-2-ylethyl)piperidin-4-amine

3-ethyl-1-(2-thiophen-2-ylethyl)piperidin-4-amine (PubChem CID 81459742) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 3-ethyl-1-(2-thiophen-2-ylethyl)piperidin-4-amine.

Molecular Properties

Compound Name3-ethyl-1-(2-thiophen-2-ylethyl)piperidin-4-amine
PubChem CID81459742
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name3-ethyl-1-(2-thiophen-2-ylethyl)piperidin-4-amine
SMILESCCC1CN(CCc2cccs2)CCC1N
InChIInChI=1S/C13H22N2S/c1-2-11-10-15(8-6-13(11)14)7-5-12-4-3-9-16-12/h3-4,9,11,13H,2,5-8,10,14H2,1H3
InChIKeyBYLXOVIVYIJYOQ-UHFFFAOYSA-N
XLogP2.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-thiophen-2-ylethyl)piperidin-4-amine?
The IUPAC name of 3-ethyl-1-(2-thiophen-2-ylethyl)piperidin-4-amine (CID 81459742) is 3-ethyl-1-(2-thiophen-2-ylethyl)piperidin-4-amine.
What is the SMILES notation for 3-ethyl-1-(2-thiophen-2-ylethyl)piperidin-4-amine?
The canonical SMILES for 3-ethyl-1-(2-thiophen-2-ylethyl)piperidin-4-amine is CCC1CN(CCc2cccs2)CCC1N.
What is the InChIKey of 3-ethyl-1-(2-thiophen-2-ylethyl)piperidin-4-amine?
The InChIKey is BYLXOVIVYIJYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-2-11-10-15(8-6-13(11)14)7-5-12-4-3-9-16-12/h3-4,9,11,13H,2,5-8,10,14H2,1H3.
What are the key properties of 3-ethyl-1-(2-thiophen-2-ylethyl)piperidin-4-amine?
3-ethyl-1-(2-thiophen-2-ylethyl)piperidin-4-amine has a molecular weight of 238.40 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-thiophen-2-ylethyl)piperidin-4-amine is sourced from PubChem (CID 81459742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).