N'-amino-3,3-difluoropiperidine-1-carboximidamide

C6H12F2N4 — CID 164647182

IUPACN'-amino-3,3-difluoropiperidine-1-carboximidamide
SMILESN/N=C(\N)N1CCCC(F)(F)C1
InChIInChI=1S/C6H12F2N4/c7-6(8)2-1-3-12(4-6)5(9)11-10/h1-4,10H2,(H2,9,11)
InChIKeyKPBBHJCQRXFQFQ-UHFFFAOYSA-N
MW178.19 g/mol
LogP-0.09
Rot. Bonds

About N'-amino-3,3-difluoropiperidine-1-carboximidamide

N'-amino-3,3-difluoropiperidine-1-carboximidamide (PubChem CID 164647182) has the molecular formula C6H12F2N4 and a molecular weight of 178.19 g/mol. Its IUPAC name is N'-amino-3,3-difluoropiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-amino-3,3-difluoropiperidine-1-carboximidamide
PubChem CID164647182
Molecular FormulaC6H12F2N4
Molecular Weight178.19 g/mol
Exact Mass178.10
IUPAC NameN'-amino-3,3-difluoropiperidine-1-carboximidamide
SMILESN/N=C(\N)N1CCCC(F)(F)C1
InChIInChI=1S/C6H12F2N4/c7-6(8)2-1-3-12(4-6)5(9)11-10/h1-4,10H2,(H2,9,11)
InChIKeyKPBBHJCQRXFQFQ-UHFFFAOYSA-N
XLogP-0.09
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-amino-3,3-difluoropiperidine-1-carboximidamide?
The IUPAC name of N'-amino-3,3-difluoropiperidine-1-carboximidamide (CID 164647182) is N'-amino-3,3-difluoropiperidine-1-carboximidamide.
What is the SMILES notation for N'-amino-3,3-difluoropiperidine-1-carboximidamide?
The canonical SMILES for N'-amino-3,3-difluoropiperidine-1-carboximidamide is N/N=C(\N)N1CCCC(F)(F)C1.
What is the InChIKey of N'-amino-3,3-difluoropiperidine-1-carboximidamide?
The InChIKey is KPBBHJCQRXFQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N4/c7-6(8)2-1-3-12(4-6)5(9)11-10/h1-4,10H2,(H2,9,11).
What are the key properties of N'-amino-3,3-difluoropiperidine-1-carboximidamide?
N'-amino-3,3-difluoropiperidine-1-carboximidamide has a molecular weight of 178.19 g/mol, XLogP of -0.09, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-3,3-difluoropiperidine-1-carboximidamide is sourced from PubChem (CID 164647182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).