3-ethyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-amine

C10H19F3N2O — CID 81459292

IUPAC3-ethyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-amine
SMILESCCC1CN(CCOC(F)(F)F)CCC1N
InChIInChI=1S/C10H19F3N2O/c1-2-8-7-15(4-3-9(8)14)5-6-16-10(11,12)13/h8-9H,2-7,14H2,1H3
InChIKeyADKYJJCHMPSAEN-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.58
Rot. Bonds4

About 3-ethyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-amine

3-ethyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-amine (PubChem CID 81459292) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 3-ethyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name3-ethyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-amine
PubChem CID81459292
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name3-ethyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-amine
SMILESCCC1CN(CCOC(F)(F)F)CCC1N
InChIInChI=1S/C10H19F3N2O/c1-2-8-7-15(4-3-9(8)14)5-6-16-10(11,12)13/h8-9H,2-7,14H2,1H3
InChIKeyADKYJJCHMPSAEN-UHFFFAOYSA-N
XLogP1.58
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.58
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-(trifluoromethoxy)ethyl]piperidin-4-amine?
The IUPAC name of 3-ethyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-amine (CID 81459292) is 3-ethyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-amine.
What is the SMILES notation for 3-ethyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-amine?
The canonical SMILES for 3-ethyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-amine is CCC1CN(CCOC(F)(F)F)CCC1N.
What is the InChIKey of 3-ethyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-amine?
The InChIKey is ADKYJJCHMPSAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-2-8-7-15(4-3-9(8)14)5-6-16-10(11,12)13/h8-9H,2-7,14H2,1H3.
What are the key properties of 3-ethyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-amine?
3-ethyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-amine has a molecular weight of 240.27 g/mol, XLogP of 1.58, 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-(trifluoromethoxy)ethyl]piperidin-4-amine is sourced from PubChem (CID 81459292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).