O-[3-(4,4-difluoropiperidin-1-yl)propyl]hydroxylamine

C8H16F2N2O — CID 142527856

IUPACO-[3-(4,4-difluoropiperidin-1-yl)propyl]hydroxylamine
SMILESNOCCCN1CCC(F)(F)CC1
InChIInChI=1S/C8H16F2N2O/c9-8(10)2-5-12(6-3-8)4-1-7-13-11/h1-7,11H2
InChIKeyMDGGGDNGWGTYGN-UHFFFAOYSA-N
MW194.22 g/mol
LogP1.00
Rot. Bonds4

About O-[3-(4,4-difluoropiperidin-1-yl)propyl]hydroxylamine

O-[3-(4,4-difluoropiperidin-1-yl)propyl]hydroxylamine (PubChem CID 142527856) has the molecular formula C8H16F2N2O and a molecular weight of 194.22 g/mol. Its IUPAC name is O-[3-(4,4-difluoropiperidin-1-yl)propyl]hydroxylamine.

Molecular Properties

Compound NameO-[3-(4,4-difluoropiperidin-1-yl)propyl]hydroxylamine
PubChem CID142527856
Molecular FormulaC8H16F2N2O
Molecular Weight194.22 g/mol
Exact Mass194.12
IUPAC NameO-[3-(4,4-difluoropiperidin-1-yl)propyl]hydroxylamine
SMILESNOCCCN1CCC(F)(F)CC1
InChIInChI=1S/C8H16F2N2O/c9-8(10)2-5-12(6-3-8)4-1-7-13-11/h1-7,11H2
InChIKeyMDGGGDNGWGTYGN-UHFFFAOYSA-N
XLogP1.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 O-[3-(4,4-difluoropiperidin-1-yl)propyl]hydroxylamine?
The IUPAC name of O-[3-(4,4-difluoropiperidin-1-yl)propyl]hydroxylamine (CID 142527856) is O-[3-(4,4-difluoropiperidin-1-yl)propyl]hydroxylamine.
What is the SMILES notation for O-[3-(4,4-difluoropiperidin-1-yl)propyl]hydroxylamine?
The canonical SMILES for O-[3-(4,4-difluoropiperidin-1-yl)propyl]hydroxylamine is NOCCCN1CCC(F)(F)CC1.
What is the InChIKey of O-[3-(4,4-difluoropiperidin-1-yl)propyl]hydroxylamine?
The InChIKey is MDGGGDNGWGTYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O/c9-8(10)2-5-12(6-3-8)4-1-7-13-11/h1-7,11H2.
What are the key properties of O-[3-(4,4-difluoropiperidin-1-yl)propyl]hydroxylamine?
O-[3-(4,4-difluoropiperidin-1-yl)propyl]hydroxylamine has a molecular weight of 194.22 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[3-(4,4-difluoropiperidin-1-yl)propyl]hydroxylamine is sourced from PubChem (CID 142527856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).