4-(fluoromethyl)piperidine-1-carboximidamide

C7H14FN3 — CID 121200933

IUPAC4-(fluoromethyl)piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(CF)CC1
InChIInChI=1S/C7H14FN3/c8-5-6-1-3-11(4-2-6)7(9)10/h6H,1-5H2,(H3,9,10)
InChIKeyWOJDKNZUCKHLIV-UHFFFAOYSA-N
MW159.21 g/mol
LogP0.56
Rot. Bonds1

About 4-(fluoromethyl)piperidine-1-carboximidamide

4-(fluoromethyl)piperidine-1-carboximidamide (PubChem CID 121200933) has the molecular formula C7H14FN3 and a molecular weight of 159.21 g/mol. Its IUPAC name is 4-(fluoromethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-(fluoromethyl)piperidine-1-carboximidamide
PubChem CID121200933
Molecular FormulaC7H14FN3
Molecular Weight159.21 g/mol
Exact Mass159.12
IUPAC Name4-(fluoromethyl)piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(CF)CC1
InChIInChI=1S/C7H14FN3/c8-5-6-1-3-11(4-2-6)7(9)10/h6H,1-5H2,(H3,9,10)
InChIKeyWOJDKNZUCKHLIV-UHFFFAOYSA-N
XLogP0.56
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.56
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'}

Analyze 4-(fluoromethyl)piperidine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)piperidine-1-carboximidamide?
The IUPAC name of 4-(fluoromethyl)piperidine-1-carboximidamide (CID 121200933) is 4-(fluoromethyl)piperidine-1-carboximidamide.
What is the SMILES notation for 4-(fluoromethyl)piperidine-1-carboximidamide?
The canonical SMILES for 4-(fluoromethyl)piperidine-1-carboximidamide is [H]/N=C(\N)N1CCC(CF)CC1.
What is the InChIKey of 4-(fluoromethyl)piperidine-1-carboximidamide?
The InChIKey is WOJDKNZUCKHLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN3/c8-5-6-1-3-11(4-2-6)7(9)10/h6H,1-5H2,(H3,9,10).
What are the key properties of 4-(fluoromethyl)piperidine-1-carboximidamide?
4-(fluoromethyl)piperidine-1-carboximidamide has a molecular weight of 159.21 g/mol, XLogP of 0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 121200933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).