N-(2-methoxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C10H19F3N2O — CID 43756309

IUPACN-(2-methoxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCOCCNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2O/c1-16-7-4-14-9-2-5-15(6-3-9)8-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyYNGZVUOOWMFDRD-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.25
Rot. Bonds5

About N-(2-methoxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(2-methoxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 43756309) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID43756309
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC NameN-(2-methoxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCOCCNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2O/c1-16-7-4-14-9-2-5-15(6-3-9)8-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyYNGZVUOOWMFDRD-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
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 N-(2-methoxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 43756309) is N-(2-methoxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is COCCNC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-(2-methoxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is YNGZVUOOWMFDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-16-7-4-14-9-2-5-15(6-3-9)8-10(11,12)13/h9,14H,2-8H2,1H3.
What are the key properties of N-(2-methoxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(2-methoxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 240.27 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 43756309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).