N-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-ylidene]hydroxylamine

C9H15F3N2O2 — CID 61490731

IUPACN-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-ylidene]hydroxylamine
SMILESON=C1CCN(CCOCC(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)7-16-6-5-14-3-1-8(13-15)2-4-14/h15H,1-7H2
InChIKeyZPKINVRILFROQE-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.49
Rot. Bonds4

About N-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-ylidene]hydroxylamine

N-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-ylidene]hydroxylamine (PubChem CID 61490731) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is N-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-ylidene]hydroxylamine
PubChem CID61490731
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC NameN-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-ylidene]hydroxylamine
SMILESON=C1CCN(CCOCC(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)7-16-6-5-14-3-1-8(13-15)2-4-14/h15H,1-7H2
InChIKeyZPKINVRILFROQE-UHFFFAOYSA-N
XLogP1.49
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-ylidene]hydroxylamine (CID 61490731) is N-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-ylidene]hydroxylamine is ON=C1CCN(CCOCC(F)(F)F)CC1.
What is the InChIKey of N-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-ylidene]hydroxylamine?
The InChIKey is ZPKINVRILFROQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)7-16-6-5-14-3-1-8(13-15)2-4-14/h15H,1-7H2.
What are the key properties of N-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-ylidene]hydroxylamine?
N-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-ylidene]hydroxylamine has a molecular weight of 240.22 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 61490731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).