N'-(2,2-difluoroethyl)-4-methylpiperidine-1-carboximidamide

C9H17F2N3 — CID 111498027

IUPACN'-(2,2-difluoroethyl)-4-methylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CC(F)F)CC1
InChIInChI=1S/C9H17F2N3/c1-7-2-4-14(5-3-7)9(12)13-6-8(10)11/h7-8H,2-6H2,1H3,(H2,12,13)
InChIKeyZGOXHWZIADZDTK-UHFFFAOYSA-N
MW205.25 g/mol
LogP1.30
Rot. Bonds2

About N'-(2,2-difluoroethyl)-4-methylpiperidine-1-carboximidamide

N'-(2,2-difluoroethyl)-4-methylpiperidine-1-carboximidamide (PubChem CID 111498027) has the molecular formula C9H17F2N3 and a molecular weight of 205.25 g/mol. Its IUPAC name is N'-(2,2-difluoroethyl)-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(2,2-difluoroethyl)-4-methylpiperidine-1-carboximidamide
PubChem CID111498027
Molecular FormulaC9H17F2N3
Molecular Weight205.25 g/mol
Exact Mass205.14
IUPAC NameN'-(2,2-difluoroethyl)-4-methylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CC(F)F)CC1
InChIInChI=1S/C9H17F2N3/c1-7-2-4-14(5-3-7)9(12)13-6-8(10)11/h7-8H,2-6H2,1H3,(H2,12,13)
InChIKeyZGOXHWZIADZDTK-UHFFFAOYSA-N
XLogP1.30
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2,2-difluoroethyl)-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-(2,2-difluoroethyl)-4-methylpiperidine-1-carboximidamide (CID 111498027) is N'-(2,2-difluoroethyl)-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-(2,2-difluoroethyl)-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-(2,2-difluoroethyl)-4-methylpiperidine-1-carboximidamide is CC1CCN(/C(N)=N/CC(F)F)CC1.
What is the InChIKey of N'-(2,2-difluoroethyl)-4-methylpiperidine-1-carboximidamide?
The InChIKey is ZGOXHWZIADZDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N3/c1-7-2-4-14(5-3-7)9(12)13-6-8(10)11/h7-8H,2-6H2,1H3,(H2,12,13).
What are the key properties of N'-(2,2-difluoroethyl)-4-methylpiperidine-1-carboximidamide?
N'-(2,2-difluoroethyl)-4-methylpiperidine-1-carboximidamide has a molecular weight of 205.25 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-difluoroethyl)-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111498027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).