1-(2-fluoroethyl)piperidine-4-carboximidamide

C8H16FN3 — CID 80693915

IUPAC1-(2-fluoroethyl)piperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1CCN(CCF)CC1
InChIInChI=1S/C8H16FN3/c9-3-6-12-4-1-7(2-5-12)8(10)11/h7H,1-6H2,(H3,10,11)
InChIKeyASPAPXUYWCSNAU-UHFFFAOYSA-N
MW173.23 g/mol
LogP0.60
Rot. Bonds3

About 1-(2-fluoroethyl)piperidine-4-carboximidamide

1-(2-fluoroethyl)piperidine-4-carboximidamide (PubChem CID 80693915) has the molecular formula C8H16FN3 and a molecular weight of 173.23 g/mol. Its IUPAC name is 1-(2-fluoroethyl)piperidine-4-carboximidamide.

Molecular Properties

Compound Name1-(2-fluoroethyl)piperidine-4-carboximidamide
PubChem CID80693915
Molecular FormulaC8H16FN3
Molecular Weight173.23 g/mol
Exact Mass173.13
IUPAC Name1-(2-fluoroethyl)piperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1CCN(CCF)CC1
InChIInChI=1S/C8H16FN3/c9-3-6-12-4-1-7(2-5-12)8(10)11/h7H,1-6H2,(H3,10,11)
InChIKeyASPAPXUYWCSNAU-UHFFFAOYSA-N
XLogP0.60
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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 1-(2-fluoroethyl)piperidine-4-carboximidamide?
The IUPAC name of 1-(2-fluoroethyl)piperidine-4-carboximidamide (CID 80693915) is 1-(2-fluoroethyl)piperidine-4-carboximidamide.
What is the SMILES notation for 1-(2-fluoroethyl)piperidine-4-carboximidamide?
The canonical SMILES for 1-(2-fluoroethyl)piperidine-4-carboximidamide is [H]/N=C(\N)C1CCN(CCF)CC1.
What is the InChIKey of 1-(2-fluoroethyl)piperidine-4-carboximidamide?
The InChIKey is ASPAPXUYWCSNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN3/c9-3-6-12-4-1-7(2-5-12)8(10)11/h7H,1-6H2,(H3,10,11).
What are the key properties of 1-(2-fluoroethyl)piperidine-4-carboximidamide?
1-(2-fluoroethyl)piperidine-4-carboximidamide has a molecular weight of 173.23 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)piperidine-4-carboximidamide is sourced from PubChem (CID 80693915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).