1-(3,5-difluoro-2-pyridinyl)piperidine-3-carboximidamide

C11H14F2N4 — CID 112675527

IUPAC1-(3,5-difluoro-2-pyridinyl)piperidine-3-carboximidamide
SMILES[H]/N=C(\N)C1CCCN(c2ncc(F)cc2F)C1
InChIInChI=1S/C11H14F2N4/c12-8-4-9(13)11(16-5-8)17-3-1-2-7(6-17)10(14)15/h4-5,7H,1-3,6H2,(H3,14,15)
InChIKeyFQFVRLQNEZIRDK-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.51
Rot. Bonds2

About 1-(3,5-difluoro-2-pyridinyl)piperidine-3-carboximidamide

1-(3,5-difluoro-2-pyridinyl)piperidine-3-carboximidamide (PubChem CID 112675527) has the molecular formula C11H14F2N4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-(3,5-difluoro-2-pyridinyl)piperidine-3-carboximidamide.

Molecular Properties

Compound Name1-(3,5-difluoro-2-pyridinyl)piperidine-3-carboximidamide
PubChem CID112675527
Molecular FormulaC11H14F2N4
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name1-(3,5-difluoro-2-pyridinyl)piperidine-3-carboximidamide
SMILES[H]/N=C(\N)C1CCCN(c2ncc(F)cc2F)C1
InChIInChI=1S/C11H14F2N4/c12-8-4-9(13)11(16-5-8)17-3-1-2-7(6-17)10(14)15/h4-5,7H,1-3,6H2,(H3,14,15)
InChIKeyFQFVRLQNEZIRDK-UHFFFAOYSA-N
XLogP1.51
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.51
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoro-2-pyridinyl)piperidine-3-carboximidamide?
The IUPAC name of 1-(3,5-difluoro-2-pyridinyl)piperidine-3-carboximidamide (CID 112675527) is 1-(3,5-difluoro-2-pyridinyl)piperidine-3-carboximidamide.
What is the SMILES notation for 1-(3,5-difluoro-2-pyridinyl)piperidine-3-carboximidamide?
The canonical SMILES for 1-(3,5-difluoro-2-pyridinyl)piperidine-3-carboximidamide is [H]/N=C(\N)C1CCCN(c2ncc(F)cc2F)C1.
What is the InChIKey of 1-(3,5-difluoro-2-pyridinyl)piperidine-3-carboximidamide?
The InChIKey is FQFVRLQNEZIRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N4/c12-8-4-9(13)11(16-5-8)17-3-1-2-7(6-17)10(14)15/h4-5,7H,1-3,6H2,(H3,14,15).
What are the key properties of 1-(3,5-difluoro-2-pyridinyl)piperidine-3-carboximidamide?
1-(3,5-difluoro-2-pyridinyl)piperidine-3-carboximidamide has a molecular weight of 240.26 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoro-2-pyridinyl)piperidine-3-carboximidamide is sourced from PubChem (CID 112675527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).