O-(2,2-difluoro-2-piperidin-3-ylethyl)hydroxylamine

C7H14F2N2O — CID 115015581

IUPACO-(2,2-difluoro-2-piperidin-3-ylethyl)hydroxylamine
SMILESNOCC(F)(F)C1CCCNC1
InChIInChI=1S/C7H14F2N2O/c8-7(9,5-12-10)6-2-1-3-11-4-6/h6,11H,1-5,10H2
InChIKeyZEBVKVXKIIAOMW-UHFFFAOYSA-N
MW180.20 g/mol
LogP0.51
Rot. Bonds3

About O-(2,2-difluoro-2-piperidin-3-ylethyl)hydroxylamine

O-(2,2-difluoro-2-piperidin-3-ylethyl)hydroxylamine (PubChem CID 115015581) has the molecular formula C7H14F2N2O and a molecular weight of 180.20 g/mol. Its IUPAC name is O-(2,2-difluoro-2-piperidin-3-ylethyl)hydroxylamine.

Molecular Properties

Compound NameO-(2,2-difluoro-2-piperidin-3-ylethyl)hydroxylamine
PubChem CID115015581
Molecular FormulaC7H14F2N2O
Molecular Weight180.20 g/mol
Exact Mass180.11
IUPAC NameO-(2,2-difluoro-2-piperidin-3-ylethyl)hydroxylamine
SMILESNOCC(F)(F)C1CCCNC1
InChIInChI=1S/C7H14F2N2O/c8-7(9,5-12-10)6-2-1-3-11-4-6/h6,11H,1-5,10H2
InChIKeyZEBVKVXKIIAOMW-UHFFFAOYSA-N
XLogP0.51
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1,1-difluoropropyl)piperidine;hydrochloride
CID 115058466
3-(2-fluoro-1-methoxypropan-2-yl)piperidine
CID 112564846
2-fluoro-2-piperidin-3-ylpropan-1-amine
CID 105431462
3-[cyclobutyl(difluoro)methyl]piperidine
CID 105443675
3-(1-cyclopropyl-1-fluoroethyl)piperidine
CID 112564879
(2R)-2-fluoro-2-[(3S)-piperidin-3-yl]propan-1-ol
CID 171842824
3-(1,1-difluoro-2-methylpropyl)piperidine
CID 83855168
(3R)-3-tert-butylpiperidine
CID 59772800
3-(2-fluorobut-3-en-2-yl)piperidine
CID 112564785
3-(4-ethyl-2-fluorohexan-2-yl)piperidine
CID 112564814
3-(2-fluoro-5-methoxy-3-methylpentan-2-yl)piperidine
CID 116500623
3-[1-(4-ethylphenyl)-2-fluoropropan-2-yl]piperidine
CID 112564764

Frequently Asked Questions

What is the IUPAC name of O-(2,2-difluoro-2-piperidin-3-ylethyl)hydroxylamine?
The IUPAC name of O-(2,2-difluoro-2-piperidin-3-ylethyl)hydroxylamine (CID 115015581) is O-(2,2-difluoro-2-piperidin-3-ylethyl)hydroxylamine.
What is the SMILES notation for O-(2,2-difluoro-2-piperidin-3-ylethyl)hydroxylamine?
The canonical SMILES for O-(2,2-difluoro-2-piperidin-3-ylethyl)hydroxylamine is NOCC(F)(F)C1CCCNC1.
What is the InChIKey of O-(2,2-difluoro-2-piperidin-3-ylethyl)hydroxylamine?
The InChIKey is ZEBVKVXKIIAOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2O/c8-7(9,5-12-10)6-2-1-3-11-4-6/h6,11H,1-5,10H2.
What are the key properties of O-(2,2-difluoro-2-piperidin-3-ylethyl)hydroxylamine?
O-(2,2-difluoro-2-piperidin-3-ylethyl)hydroxylamine has a molecular weight of 180.20 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-(2,2-difluoro-2-piperidin-3-ylethyl)hydroxylamine is sourced from PubChem (CID 115015581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).