3-fluoropiperidine-1-carboximidamide

C6H12FN3 — CID 121200876

IUPAC3-fluoropiperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCCC(F)C1
InChIInChI=1S/C6H12FN3/c7-5-2-1-3-10(4-5)6(8)9/h5H,1-4H2,(H3,8,9)
InChIKeySEXHUCYETFECDU-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.31
Rot. Bonds

About 3-fluoropiperidine-1-carboximidamide

3-fluoropiperidine-1-carboximidamide (PubChem CID 121200876) has the molecular formula C6H12FN3 and a molecular weight of 145.18 g/mol. Its IUPAC name is 3-fluoropiperidine-1-carboximidamide.

Molecular Properties

Compound Name3-fluoropiperidine-1-carboximidamide
PubChem CID121200876
Molecular FormulaC6H12FN3
Molecular Weight145.18 g/mol
Exact Mass145.10
IUPAC Name3-fluoropiperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCCC(F)C1
InChIInChI=1S/C6H12FN3/c7-5-2-1-3-10(4-5)6(8)9/h5H,1-4H2,(H3,8,9)
InChIKeySEXHUCYETFECDU-UHFFFAOYSA-N
XLogP0.31
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.31
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-fluoropiperidine-1-carboximidamide?
The IUPAC name of 3-fluoropiperidine-1-carboximidamide (CID 121200876) is 3-fluoropiperidine-1-carboximidamide.
What is the SMILES notation for 3-fluoropiperidine-1-carboximidamide?
The canonical SMILES for 3-fluoropiperidine-1-carboximidamide is [H]/N=C(\N)N1CCCC(F)C1.
What is the InChIKey of 3-fluoropiperidine-1-carboximidamide?
The InChIKey is SEXHUCYETFECDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FN3/c7-5-2-1-3-10(4-5)6(8)9/h5H,1-4H2,(H3,8,9).
What are the key properties of 3-fluoropiperidine-1-carboximidamide?
3-fluoropiperidine-1-carboximidamide has a molecular weight of 145.18 g/mol, XLogP of 0.31, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropiperidine-1-carboximidamide is sourced from PubChem (CID 121200876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).