1,2,5-trimethyl-N-(2,2,2-trifluoroethoxy)piperidin-4-amine

C10H19F3N2O — CID 82712437

IUPAC1,2,5-trimethyl-N-(2,2,2-trifluoroethoxy)piperidin-4-amine
SMILESCC1CN(C)C(C)CC1NOCC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-7-5-15(3)8(2)4-9(7)14-16-6-10(11,12)13/h7-9,14H,4-6H2,1-3H3
InChIKeyLLXYYNGBFFTIEP-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.80
Rot. Bonds3

About 1,2,5-trimethyl-N-(2,2,2-trifluoroethoxy)piperidin-4-amine

1,2,5-trimethyl-N-(2,2,2-trifluoroethoxy)piperidin-4-amine (PubChem CID 82712437) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 1,2,5-trimethyl-N-(2,2,2-trifluoroethoxy)piperidin-4-amine.

Molecular Properties

Compound Name1,2,5-trimethyl-N-(2,2,2-trifluoroethoxy)piperidin-4-amine
PubChem CID82712437
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name1,2,5-trimethyl-N-(2,2,2-trifluoroethoxy)piperidin-4-amine
SMILESCC1CN(C)C(C)CC1NOCC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-7-5-15(3)8(2)4-9(7)14-16-6-10(11,12)13/h7-9,14H,4-6H2,1-3H3
InChIKeyLLXYYNGBFFTIEP-UHFFFAOYSA-N
XLogP1.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.80
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 1,2,5-trimethyl-N-(2,2,2-trifluoroethoxy)piperidin-4-amine?
The IUPAC name of 1,2,5-trimethyl-N-(2,2,2-trifluoroethoxy)piperidin-4-amine (CID 82712437) is 1,2,5-trimethyl-N-(2,2,2-trifluoroethoxy)piperidin-4-amine.
What is the SMILES notation for 1,2,5-trimethyl-N-(2,2,2-trifluoroethoxy)piperidin-4-amine?
The canonical SMILES for 1,2,5-trimethyl-N-(2,2,2-trifluoroethoxy)piperidin-4-amine is CC1CN(C)C(C)CC1NOCC(F)(F)F.
What is the InChIKey of 1,2,5-trimethyl-N-(2,2,2-trifluoroethoxy)piperidin-4-amine?
The InChIKey is LLXYYNGBFFTIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-7-5-15(3)8(2)4-9(7)14-16-6-10(11,12)13/h7-9,14H,4-6H2,1-3H3.
What are the key properties of 1,2,5-trimethyl-N-(2,2,2-trifluoroethoxy)piperidin-4-amine?
1,2,5-trimethyl-N-(2,2,2-trifluoroethoxy)piperidin-4-amine has a molecular weight of 240.27 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-N-(2,2,2-trifluoroethoxy)piperidin-4-amine is sourced from PubChem (CID 82712437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).