2-(4,4-difluoro-2-methylpiperidin-1-yl)-N'-hydroxyethanimidamide

C8H15F2N3O — CID 146385627

IUPAC2-(4,4-difluoro-2-methylpiperidin-1-yl)-N'-hydroxyethanimidamide
SMILESCC1CC(F)(F)CCN1C/C(N)=N/O
InChIInChI=1S/C8H15F2N3O/c1-6-4-8(9,10)2-3-13(6)5-7(11)12-14/h6,14H,2-5H2,1H3,(H2,11,12)
InChIKeyMXZAKQFBZUSTFD-UHFFFAOYSA-N
MW207.22 g/mol
LogP0.85
Rot. Bonds2

About 2-(4,4-difluoro-2-methylpiperidin-1-yl)-N'-hydroxyethanimidamide

2-(4,4-difluoro-2-methylpiperidin-1-yl)-N'-hydroxyethanimidamide (PubChem CID 146385627) has the molecular formula C8H15F2N3O and a molecular weight of 207.22 g/mol. Its IUPAC name is 2-(4,4-difluoro-2-methylpiperidin-1-yl)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(4,4-difluoro-2-methylpiperidin-1-yl)-N'-hydroxyethanimidamide
PubChem CID146385627
Molecular FormulaC8H15F2N3O
Molecular Weight207.22 g/mol
Exact Mass207.12
IUPAC Name2-(4,4-difluoro-2-methylpiperidin-1-yl)-N'-hydroxyethanimidamide
SMILESCC1CC(F)(F)CCN1C/C(N)=N/O
InChIInChI=1S/C8H15F2N3O/c1-6-4-8(9,10)2-3-13(6)5-7(11)12-14/h6,14H,2-5H2,1H3,(H2,11,12)
InChIKeyMXZAKQFBZUSTFD-UHFFFAOYSA-N
XLogP0.85
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 2-(4,4-difluoro-2-methylpiperidin-1-yl)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(4,4-difluoro-2-methylpiperidin-1-yl)-N'-hydroxyethanimidamide (CID 146385627) is 2-(4,4-difluoro-2-methylpiperidin-1-yl)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(4,4-difluoro-2-methylpiperidin-1-yl)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(4,4-difluoro-2-methylpiperidin-1-yl)-N'-hydroxyethanimidamide is CC1CC(F)(F)CCN1C/C(N)=N/O.
What is the InChIKey of 2-(4,4-difluoro-2-methylpiperidin-1-yl)-N'-hydroxyethanimidamide?
The InChIKey is MXZAKQFBZUSTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N3O/c1-6-4-8(9,10)2-3-13(6)5-7(11)12-14/h6,14H,2-5H2,1H3,(H2,11,12).
What are the key properties of 2-(4,4-difluoro-2-methylpiperidin-1-yl)-N'-hydroxyethanimidamide?
2-(4,4-difluoro-2-methylpiperidin-1-yl)-N'-hydroxyethanimidamide has a molecular weight of 207.22 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoro-2-methylpiperidin-1-yl)-N'-hydroxyethanimidamide is sourced from PubChem (CID 146385627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).