2-fluoro-2-(1-methylpiperidin-3-yl)ethanimidamide

C8H16FN3 — CID 115014167

IUPAC2-fluoro-2-(1-methylpiperidin-3-yl)ethanimidamide
SMILES[H]/N=C(\N)C(F)C1CCCN(C)C1
InChIInChI=1S/C8H16FN3/c1-12-4-2-3-6(5-12)7(9)8(10)11/h6-7H,2-5H2,1H3,(H3,10,11)
InChIKeyPLPPBGQEHKQNMG-UHFFFAOYSA-N
MW173.23 g/mol
LogP0.60
Rot. Bonds2

About 2-fluoro-2-(1-methylpiperidin-3-yl)ethanimidamide

2-fluoro-2-(1-methylpiperidin-3-yl)ethanimidamide (PubChem CID 115014167) has the molecular formula C8H16FN3 and a molecular weight of 173.23 g/mol. Its IUPAC name is 2-fluoro-2-(1-methylpiperidin-3-yl)ethanimidamide.

Molecular Properties

Compound Name2-fluoro-2-(1-methylpiperidin-3-yl)ethanimidamide
PubChem CID115014167
Molecular FormulaC8H16FN3
Molecular Weight173.23 g/mol
Exact Mass173.13
IUPAC Name2-fluoro-2-(1-methylpiperidin-3-yl)ethanimidamide
SMILES[H]/N=C(\N)C(F)C1CCCN(C)C1
InChIInChI=1S/C8H16FN3/c1-12-4-2-3-6(5-12)7(9)8(10)11/h6-7H,2-5H2,1H3,(H3,10,11)
InChIKeyPLPPBGQEHKQNMG-UHFFFAOYSA-N
XLogP0.60
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-fluoro-2-(1-methylpiperidin-3-yl)ethanimidamide?
The IUPAC name of 2-fluoro-2-(1-methylpiperidin-3-yl)ethanimidamide (CID 115014167) is 2-fluoro-2-(1-methylpiperidin-3-yl)ethanimidamide.
What is the SMILES notation for 2-fluoro-2-(1-methylpiperidin-3-yl)ethanimidamide?
The canonical SMILES for 2-fluoro-2-(1-methylpiperidin-3-yl)ethanimidamide is [H]/N=C(\N)C(F)C1CCCN(C)C1.
What is the InChIKey of 2-fluoro-2-(1-methylpiperidin-3-yl)ethanimidamide?
The InChIKey is PLPPBGQEHKQNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN3/c1-12-4-2-3-6(5-12)7(9)8(10)11/h6-7H,2-5H2,1H3,(H3,10,11).
What are the key properties of 2-fluoro-2-(1-methylpiperidin-3-yl)ethanimidamide?
2-fluoro-2-(1-methylpiperidin-3-yl)ethanimidamide has a molecular weight of 173.23 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(1-methylpiperidin-3-yl)ethanimidamide is sourced from PubChem (CID 115014167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).