N-[3-ethyl-1-(3,3,3-trifluoropropyl)piperidin-4-ylidene]hydroxylamine

C10H17F3N2O — CID 104931508

IUPACN-[3-ethyl-1-(3,3,3-trifluoropropyl)piperidin-4-ylidene]hydroxylamine
SMILESCCC1CN(CCC(F)(F)F)CCC1=NO
InChIInChI=1S/C10H17F3N2O/c1-2-8-7-15(5-3-9(8)14-16)6-4-10(11,12)13/h8,16H,2-7H2,1H3
InChIKeyMGNMZCCBKUSMGF-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.50
Rot. Bonds3

About N-[3-ethyl-1-(3,3,3-trifluoropropyl)piperidin-4-ylidene]hydroxylamine

N-[3-ethyl-1-(3,3,3-trifluoropropyl)piperidin-4-ylidene]hydroxylamine (PubChem CID 104931508) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is N-[3-ethyl-1-(3,3,3-trifluoropropyl)piperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[3-ethyl-1-(3,3,3-trifluoropropyl)piperidin-4-ylidene]hydroxylamine
PubChem CID104931508
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC NameN-[3-ethyl-1-(3,3,3-trifluoropropyl)piperidin-4-ylidene]hydroxylamine
SMILESCCC1CN(CCC(F)(F)F)CCC1=NO
InChIInChI=1S/C10H17F3N2O/c1-2-8-7-15(5-3-9(8)14-16)6-4-10(11,12)13/h8,16H,2-7H2,1H3
InChIKeyMGNMZCCBKUSMGF-UHFFFAOYSA-N
XLogP2.50
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.50
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-ethyl-1-(3,3,3-trifluoropropyl)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-ethyl-1-(3,3,3-trifluoropropyl)piperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[3-ethyl-1-(3,3,3-trifluoropropyl)piperidin-4-ylidene]hydroxylamine (CID 104931508) is N-[3-ethyl-1-(3,3,3-trifluoropropyl)piperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[3-ethyl-1-(3,3,3-trifluoropropyl)piperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[3-ethyl-1-(3,3,3-trifluoropropyl)piperidin-4-ylidene]hydroxylamine is CCC1CN(CCC(F)(F)F)CCC1=NO.
What is the InChIKey of N-[3-ethyl-1-(3,3,3-trifluoropropyl)piperidin-4-ylidene]hydroxylamine?
The InChIKey is MGNMZCCBKUSMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-2-8-7-15(5-3-9(8)14-16)6-4-10(11,12)13/h8,16H,2-7H2,1H3.
What are the key properties of N-[3-ethyl-1-(3,3,3-trifluoropropyl)piperidin-4-ylidene]hydroxylamine?
N-[3-ethyl-1-(3,3,3-trifluoropropyl)piperidin-4-ylidene]hydroxylamine has a molecular weight of 238.25 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-1-(3,3,3-trifluoropropyl)piperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 104931508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).