N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-1-amine

C9H17F3N2O — CID 83014482

IUPACN-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-1-amine
SMILESFC(F)(F)COCCNN1CCCCC1
InChIInChI=1S/C9H17F3N2O/c10-9(11,12)8-15-7-4-13-14-5-2-1-3-6-14/h13H,1-8H2
InChIKeyKLTHSWLDFOFKLK-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.56
Rot. Bonds5

About N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-1-amine

N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-1-amine (PubChem CID 83014482) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-1-amine.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-1-amine
PubChem CID83014482
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC NameN-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-1-amine
SMILESFC(F)(F)COCCNN1CCCCC1
InChIInChI=1S/C9H17F3N2O/c10-9(11,12)8-15-7-4-13-14-5-2-1-3-6-14/h13H,1-8H2
InChIKeyKLTHSWLDFOFKLK-UHFFFAOYSA-N
XLogP1.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.56
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-(2,2,2-trifluoroethoxy)ethyl]piperidin-1-amine?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-1-amine (CID 83014482) is N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-1-amine.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-1-amine?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-1-amine is FC(F)(F)COCCNN1CCCCC1.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-1-amine?
The InChIKey is KLTHSWLDFOFKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c10-9(11,12)8-15-7-4-13-14-5-2-1-3-6-14/h13H,1-8H2.
What are the key properties of N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-1-amine?
N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-1-amine has a molecular weight of 226.24 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-1-amine is sourced from PubChem (CID 83014482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).