N-[3-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]hydroxylamine

C8H13F3N2O — CID 104930944

IUPACN-[3-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]hydroxylamine
SMILESCC1CN(CC(F)(F)F)CCC1=NO
InChIInChI=1S/C8H13F3N2O/c1-6-4-13(5-8(9,10)11)3-2-7(6)12-14/h6,14H,2-5H2,1H3
InChIKeyUCVKIKOEJRCEJG-UHFFFAOYSA-N
MW210.20 g/mol
LogP1.72
Rot. Bonds1

About N-[3-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]hydroxylamine

N-[3-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]hydroxylamine (PubChem CID 104930944) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is N-[3-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[3-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]hydroxylamine
PubChem CID104930944
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC NameN-[3-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]hydroxylamine
SMILESCC1CN(CC(F)(F)F)CCC1=NO
InChIInChI=1S/C8H13F3N2O/c1-6-4-13(5-8(9,10)11)3-2-7(6)12-14/h6,14H,2-5H2,1H3
InChIKeyUCVKIKOEJRCEJG-UHFFFAOYSA-N
XLogP1.72
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[3-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]hydroxylamine (CID 104930944) is N-[3-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[3-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[3-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]hydroxylamine is CC1CN(CC(F)(F)F)CCC1=NO.
What is the InChIKey of N-[3-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]hydroxylamine?
The InChIKey is UCVKIKOEJRCEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O/c1-6-4-13(5-8(9,10)11)3-2-7(6)12-14/h6,14H,2-5H2,1H3.
What are the key properties of N-[3-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]hydroxylamine?
N-[3-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]hydroxylamine has a molecular weight of 210.20 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 104930944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).