2-fluoro-3-methylpiperidine-1-carboximidamide

C7H14FN3 — CID 174885218

IUPAC2-fluoro-3-methylpiperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCCC(C)C1F
InChIInChI=1S/C7H14FN3/c1-5-3-2-4-11(6(5)8)7(9)10/h5-6H,2-4H2,1H3,(H3,9,10)
InChIKeyNQBUJFQEAKTWGH-UHFFFAOYSA-N
MW159.21 g/mol
LogP0.91
Rot. Bonds

About 2-fluoro-3-methylpiperidine-1-carboximidamide

2-fluoro-3-methylpiperidine-1-carboximidamide (PubChem CID 174885218) has the molecular formula C7H14FN3 and a molecular weight of 159.21 g/mol. Its IUPAC name is 2-fluoro-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound Name2-fluoro-3-methylpiperidine-1-carboximidamide
PubChem CID174885218
Molecular FormulaC7H14FN3
Molecular Weight159.21 g/mol
Exact Mass159.12
IUPAC Name2-fluoro-3-methylpiperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCCC(C)C1F
InChIInChI=1S/C7H14FN3/c1-5-3-2-4-11(6(5)8)7(9)10/h5-6H,2-4H2,1H3,(H3,9,10)
InChIKeyNQBUJFQEAKTWGH-UHFFFAOYSA-N
XLogP0.91
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.91
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methylpiperidine-1-carboximidamide?
The IUPAC name of 2-fluoro-3-methylpiperidine-1-carboximidamide (CID 174885218) is 2-fluoro-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for 2-fluoro-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for 2-fluoro-3-methylpiperidine-1-carboximidamide is [H]/N=C(\N)N1CCCC(C)C1F.
What is the InChIKey of 2-fluoro-3-methylpiperidine-1-carboximidamide?
The InChIKey is NQBUJFQEAKTWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN3/c1-5-3-2-4-11(6(5)8)7(9)10/h5-6H,2-4H2,1H3,(H3,9,10).
What are the key properties of 2-fluoro-3-methylpiperidine-1-carboximidamide?
2-fluoro-3-methylpiperidine-1-carboximidamide has a molecular weight of 159.21 g/mol, XLogP of 0.91, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 174885218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).