3-(difluoromethyl)piperidine-1-carboximidamide

C7H13F2N3 — CID 121201123

IUPAC3-(difluoromethyl)piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCCC(C(F)F)C1
InChIInChI=1S/C7H13F2N3/c8-6(9)5-2-1-3-12(4-5)7(10)11/h5-6H,1-4H2,(H3,10,11)
InChIKeyIBOMTRZGIHQNRJ-UHFFFAOYSA-N
MW177.20 g/mol
LogP0.86
Rot. Bonds1

About 3-(difluoromethyl)piperidine-1-carboximidamide

3-(difluoromethyl)piperidine-1-carboximidamide (PubChem CID 121201123) has the molecular formula C7H13F2N3 and a molecular weight of 177.20 g/mol. Its IUPAC name is 3-(difluoromethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name3-(difluoromethyl)piperidine-1-carboximidamide
PubChem CID121201123
Molecular FormulaC7H13F2N3
Molecular Weight177.20 g/mol
Exact Mass177.11
IUPAC Name3-(difluoromethyl)piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCCC(C(F)F)C1
InChIInChI=1S/C7H13F2N3/c8-6(9)5-2-1-3-12(4-5)7(10)11/h5-6H,1-4H2,(H3,10,11)
InChIKeyIBOMTRZGIHQNRJ-UHFFFAOYSA-N
XLogP0.86
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.86
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 3-(difluoromethyl)piperidine-1-carboximidamide?
The IUPAC name of 3-(difluoromethyl)piperidine-1-carboximidamide (CID 121201123) is 3-(difluoromethyl)piperidine-1-carboximidamide.
What is the SMILES notation for 3-(difluoromethyl)piperidine-1-carboximidamide?
The canonical SMILES for 3-(difluoromethyl)piperidine-1-carboximidamide is [H]/N=C(\N)N1CCCC(C(F)F)C1.
What is the InChIKey of 3-(difluoromethyl)piperidine-1-carboximidamide?
The InChIKey is IBOMTRZGIHQNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N3/c8-6(9)5-2-1-3-12(4-5)7(10)11/h5-6H,1-4H2,(H3,10,11).
What are the key properties of 3-(difluoromethyl)piperidine-1-carboximidamide?
3-(difluoromethyl)piperidine-1-carboximidamide has a molecular weight of 177.20 g/mol, XLogP of 0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 121201123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).