1-(1-ethylpiperidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine

C12H23F3N2S — CID 106427259

IUPAC1-(1-ethylpiperidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
SMILESCCN1CCCC(C(C)NCCSC(F)(F)F)C1
InChIInChI=1S/C12H23F3N2S/c1-3-17-7-4-5-11(9-17)10(2)16-6-8-18-12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeyKTUWJYIJAHWXOZ-UHFFFAOYSA-N
MW284.39 g/mol
LogP2.95
Rot. Bonds6

About 1-(1-ethylpiperidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine

1-(1-ethylpiperidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine (PubChem CID 106427259) has the molecular formula C12H23F3N2S and a molecular weight of 284.39 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(1-ethylpiperidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
PubChem CID106427259
Molecular FormulaC12H23F3N2S
Molecular Weight284.39 g/mol
Exact Mass284.15
IUPAC Name1-(1-ethylpiperidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
SMILESCCN1CCCC(C(C)NCCSC(F)(F)F)C1
InChIInChI=1S/C12H23F3N2S/c1-3-17-7-4-5-11(9-17)10(2)16-6-8-18-12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeyKTUWJYIJAHWXOZ-UHFFFAOYSA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The IUPAC name of 1-(1-ethylpiperidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine (CID 106427259) is 1-(1-ethylpiperidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine.
What is the SMILES notation for 1-(1-ethylpiperidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The canonical SMILES for 1-(1-ethylpiperidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine is CCN1CCCC(C(C)NCCSC(F)(F)F)C1.
What is the InChIKey of 1-(1-ethylpiperidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The InChIKey is KTUWJYIJAHWXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2S/c1-3-17-7-4-5-11(9-17)10(2)16-6-8-18-12(13,14)15/h10-11,16H,3-9H2,1-2H3.
What are the key properties of 1-(1-ethylpiperidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
1-(1-ethylpiperidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine has a molecular weight of 284.39 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine is sourced from PubChem (CID 106427259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).