3-(1,1-difluoroethyl)piperidine-1-carboximidamide

C8H15F2N3 — CID 121202532

IUPAC3-(1,1-difluoroethyl)piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCCC(C(C)(F)F)C1
InChIInChI=1S/C8H15F2N3/c1-8(9,10)6-3-2-4-13(5-6)7(11)12/h6H,2-5H2,1H3,(H3,11,12)
InChIKeyQEGGCYPSIZMDHA-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.25
Rot. Bonds1

About 3-(1,1-difluoroethyl)piperidine-1-carboximidamide

3-(1,1-difluoroethyl)piperidine-1-carboximidamide (PubChem CID 121202532) has the molecular formula C8H15F2N3 and a molecular weight of 191.22 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)piperidine-1-carboximidamide
PubChem CID121202532
Molecular FormulaC8H15F2N3
Molecular Weight191.22 g/mol
Exact Mass191.12
IUPAC Name3-(1,1-difluoroethyl)piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCCC(C(C)(F)F)C1
InChIInChI=1S/C8H15F2N3/c1-8(9,10)6-3-2-4-13(5-6)7(11)12/h6H,2-5H2,1H3,(H3,11,12)
InChIKeyQEGGCYPSIZMDHA-UHFFFAOYSA-N
XLogP1.25
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.25
H-Bond Donors ≤ 52
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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Related Compounds

4-Methylpiperidine-1-carboximidamide
CID 3056395
N'-methyl-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 65539038
3-(Fluoromethyl)piperidine-1-carboximidamide
CID 121200973
2-Fluoro-3-methylpiperidine-1-carboximidamide
CID 174885218
3-Methylpiperidine-1-carboximidamide
CID 12011844
3-(Trifluoromethyl)piperidine-1-carboximidamide
CID 60723760
N'-ethyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 64168495
N'-methyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 64168701
N'-propyl-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 65536343
N'-(2-methylpropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 65538272
N'-propyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 65538460
N'-ethyl-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 65539039

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)piperidine-1-carboximidamide?
The IUPAC name of 3-(1,1-difluoroethyl)piperidine-1-carboximidamide (CID 121202532) is 3-(1,1-difluoroethyl)piperidine-1-carboximidamide.
What is the SMILES notation for 3-(1,1-difluoroethyl)piperidine-1-carboximidamide?
The canonical SMILES for 3-(1,1-difluoroethyl)piperidine-1-carboximidamide is [H]/N=C(\N)N1CCCC(C(C)(F)F)C1.
What is the InChIKey of 3-(1,1-difluoroethyl)piperidine-1-carboximidamide?
The InChIKey is QEGGCYPSIZMDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N3/c1-8(9,10)6-3-2-4-13(5-6)7(11)12/h6H,2-5H2,1H3,(H3,11,12).
What are the key properties of 3-(1,1-difluoroethyl)piperidine-1-carboximidamide?
3-(1,1-difluoroethyl)piperidine-1-carboximidamide has a molecular weight of 191.22 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 121202532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).