1-methyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine

C8H15F3N2O — CID 82711133

IUPAC1-methyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine
SMILESCN1CCCC(NOCC(F)(F)F)C1
InChIInChI=1S/C8H15F3N2O/c1-13-4-2-3-7(5-13)12-14-6-8(9,10)11/h7,12H,2-6H2,1H3
InChIKeyQLXKOVIABXNWLO-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.16
Rot. Bonds3

About 1-methyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine

1-methyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine (PubChem CID 82711133) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is 1-methyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine.

Molecular Properties

Compound Name1-methyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine
PubChem CID82711133
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Name1-methyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine
SMILESCN1CCCC(NOCC(F)(F)F)C1
InChIInChI=1S/C8H15F3N2O/c1-13-4-2-3-7(5-13)12-14-6-8(9,10)11/h7,12H,2-6H2,1H3
InChIKeyQLXKOVIABXNWLO-UHFFFAOYSA-N
XLogP1.16
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine?
The IUPAC name of 1-methyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine (CID 82711133) is 1-methyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine.
What is the SMILES notation for 1-methyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine?
The canonical SMILES for 1-methyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine is CN1CCCC(NOCC(F)(F)F)C1.
What is the InChIKey of 1-methyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine?
The InChIKey is QLXKOVIABXNWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c1-13-4-2-3-7(5-13)12-14-6-8(9,10)11/h7,12H,2-6H2,1H3.
What are the key properties of 1-methyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine?
1-methyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine has a molecular weight of 212.21 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine is sourced from PubChem (CID 82711133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).