1-ethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine

C12H20N2S — CID 25219570

IUPAC1-ethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine
SMILESCCN1CCC(NCc2cccs2)CC1
InChIInChI=1S/C12H20N2S/c1-2-14-7-5-11(6-8-14)13-10-12-4-3-9-15-12/h3-4,9,11,13H,2,5-8,10H2,1H3
InChIKeyFFNDHYTUTXELJB-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.32
Rot. Bonds4

About 1-ethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine

1-ethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine (PubChem CID 25219570) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 1-ethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-ethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine
PubChem CID25219570
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name1-ethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine
SMILESCCN1CCC(NCc2cccs2)CC1
InChIInChI=1S/C12H20N2S/c1-2-14-7-5-11(6-8-14)13-10-12-4-3-9-15-12/h3-4,9,11,13H,2,5-8,10H2,1H3
InChIKeyFFNDHYTUTXELJB-UHFFFAOYSA-N
XLogP2.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-ethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine (CID 25219570) is 1-ethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-ethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-ethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine is CCN1CCC(NCc2cccs2)CC1.
What is the InChIKey of 1-ethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine?
The InChIKey is FFNDHYTUTXELJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-2-14-7-5-11(6-8-14)13-10-12-4-3-9-15-12/h3-4,9,11,13H,2,5-8,10H2,1H3.
What are the key properties of 1-ethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine?
1-ethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine has a molecular weight of 224.37 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 25219570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).