O-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hydroxylamine

C7H13F3N2O — CID 129267514

IUPACO-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hydroxylamine
SMILESNOC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C7H13F3N2O/c8-7(9,10)5-12-3-1-6(13-11)2-4-12/h6H,1-5,11H2
InChIKeyWGRXJYANQKZCGP-UHFFFAOYSA-N
MW198.19 g/mol
LogP0.90
Rot. Bonds2

About O-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hydroxylamine

O-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hydroxylamine (PubChem CID 129267514) has the molecular formula C7H13F3N2O and a molecular weight of 198.19 g/mol. Its IUPAC name is O-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hydroxylamine.

Molecular Properties

Compound NameO-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hydroxylamine
PubChem CID129267514
Molecular FormulaC7H13F3N2O
Molecular Weight198.19 g/mol
Exact Mass198.10
IUPAC NameO-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hydroxylamine
SMILESNOC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C7H13F3N2O/c8-7(9,10)5-12-3-1-6(13-11)2-4-12/h6H,1-5,11H2
InChIKeyWGRXJYANQKZCGP-UHFFFAOYSA-N
XLogP0.90
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 50.90
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 O-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hydroxylamine?
The IUPAC name of O-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hydroxylamine (CID 129267514) is O-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hydroxylamine.
What is the SMILES notation for O-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hydroxylamine?
The canonical SMILES for O-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hydroxylamine is NOC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of O-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hydroxylamine?
The InChIKey is WGRXJYANQKZCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O/c8-7(9,10)5-12-3-1-6(13-11)2-4-12/h6H,1-5,11H2.
What are the key properties of O-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hydroxylamine?
O-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hydroxylamine has a molecular weight of 198.19 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hydroxylamine is sourced from PubChem (CID 129267514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).