4-(1,1-difluoroethyl)piperidine-1-carboximidamide

C8H15F2N3 — CID 121202499

IUPAC4-(1,1-difluoroethyl)piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(C(C)(F)F)CC1
InChIInChI=1S/C8H15F2N3/c1-8(9,10)6-2-4-13(5-3-6)7(11)12/h6H,2-5H2,1H3,(H3,11,12)
InChIKeyZUQVIAMWWABRPV-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.25
Rot. Bonds1

About 4-(1,1-difluoroethyl)piperidine-1-carboximidamide

4-(1,1-difluoroethyl)piperidine-1-carboximidamide (PubChem CID 121202499) has the molecular formula C8H15F2N3 and a molecular weight of 191.22 g/mol. Its IUPAC name is 4-(1,1-difluoroethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-(1,1-difluoroethyl)piperidine-1-carboximidamide
PubChem CID121202499
Molecular FormulaC8H15F2N3
Molecular Weight191.22 g/mol
Exact Mass191.12
IUPAC Name4-(1,1-difluoroethyl)piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(C(C)(F)F)CC1
InChIInChI=1S/C8H15F2N3/c1-8(9,10)6-2-4-13(5-3-6)7(11)12/h6H,2-5H2,1H3,(H3,11,12)
InChIKeyZUQVIAMWWABRPV-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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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethyl)piperidine-1-carboximidamide?
The IUPAC name of 4-(1,1-difluoroethyl)piperidine-1-carboximidamide (CID 121202499) is 4-(1,1-difluoroethyl)piperidine-1-carboximidamide.
What is the SMILES notation for 4-(1,1-difluoroethyl)piperidine-1-carboximidamide?
The canonical SMILES for 4-(1,1-difluoroethyl)piperidine-1-carboximidamide is [H]/N=C(\N)N1CCC(C(C)(F)F)CC1.
What is the InChIKey of 4-(1,1-difluoroethyl)piperidine-1-carboximidamide?
The InChIKey is ZUQVIAMWWABRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N3/c1-8(9,10)6-2-4-13(5-3-6)7(11)12/h6H,2-5H2,1H3,(H3,11,12).
What are the key properties of 4-(1,1-difluoroethyl)piperidine-1-carboximidamide?
4-(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 4-(1,1-difluoroethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 121202499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).