2-(1-methylpiperidin-2-yl)-N-(2,2,2-trifluoroethoxy)ethanamine

C10H19F3N2O — CID 82721893

IUPAC2-(1-methylpiperidin-2-yl)-N-(2,2,2-trifluoroethoxy)ethanamine
SMILESCN1CCCCC1CCNOCC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-15-7-3-2-4-9(15)5-6-14-16-8-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyYIHSBHYEQCQFKW-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.94
Rot. Bonds5

About 2-(1-methylpiperidin-2-yl)-N-(2,2,2-trifluoroethoxy)ethanamine

2-(1-methylpiperidin-2-yl)-N-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 82721893) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-(1-methylpiperidin-2-yl)-N-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name2-(1-methylpiperidin-2-yl)-N-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID82721893
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name2-(1-methylpiperidin-2-yl)-N-(2,2,2-trifluoroethoxy)ethanamine
SMILESCN1CCCCC1CCNOCC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-15-7-3-2-4-9(15)5-6-14-16-8-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyYIHSBHYEQCQFKW-UHFFFAOYSA-N
XLogP1.94
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-2-yl)-N-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 2-(1-methylpiperidin-2-yl)-N-(2,2,2-trifluoroethoxy)ethanamine (CID 82721893) is 2-(1-methylpiperidin-2-yl)-N-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 2-(1-methylpiperidin-2-yl)-N-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 2-(1-methylpiperidin-2-yl)-N-(2,2,2-trifluoroethoxy)ethanamine is CN1CCCCC1CCNOCC(F)(F)F.
What is the InChIKey of 2-(1-methylpiperidin-2-yl)-N-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is YIHSBHYEQCQFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-15-7-3-2-4-9(15)5-6-14-16-8-10(11,12)13/h9,14H,2-8H2,1H3.
What are the key properties of 2-(1-methylpiperidin-2-yl)-N-(2,2,2-trifluoroethoxy)ethanamine?
2-(1-methylpiperidin-2-yl)-N-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 240.27 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-2-yl)-N-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 82721893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).