4-fluoro-N'-methylpiperidine-1-carboximidamide

C7H14FN3 — CID 89374624

IUPAC4-fluoro-N'-methylpiperidine-1-carboximidamide
SMILESC/N=C(\N)N1CCC(F)CC1
InChIInChI=1S/C7H14FN3/c1-10-7(9)11-4-2-6(8)3-5-11/h6H,2-5H2,1H3,(H2,9,10)
InChIKeyYZNSILKKIZURNB-UHFFFAOYSA-N
MW159.21 g/mol
LogP0.36
Rot. Bonds

About 4-fluoro-N'-methylpiperidine-1-carboximidamide

4-fluoro-N'-methylpiperidine-1-carboximidamide (PubChem CID 89374624) has the molecular formula C7H14FN3 and a molecular weight of 159.21 g/mol. Its IUPAC name is 4-fluoro-N'-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound Name4-fluoro-N'-methylpiperidine-1-carboximidamide
PubChem CID89374624
Molecular FormulaC7H14FN3
Molecular Weight159.21 g/mol
Exact Mass159.12
IUPAC Name4-fluoro-N'-methylpiperidine-1-carboximidamide
SMILESC/N=C(\N)N1CCC(F)CC1
InChIInChI=1S/C7H14FN3/c1-10-7(9)11-4-2-6(8)3-5-11/h6H,2-5H2,1H3,(H2,9,10)
InChIKeyYZNSILKKIZURNB-UHFFFAOYSA-N
XLogP0.36
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.36
H-Bond Donors ≤ 51
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-fluoro-N'-methylpiperidine-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-fluoro-N'-methylpiperidine-1-carboximidamide?
The IUPAC name of 4-fluoro-N'-methylpiperidine-1-carboximidamide (CID 89374624) is 4-fluoro-N'-methylpiperidine-1-carboximidamide.
What is the SMILES notation for 4-fluoro-N'-methylpiperidine-1-carboximidamide?
The canonical SMILES for 4-fluoro-N'-methylpiperidine-1-carboximidamide is C/N=C(\N)N1CCC(F)CC1.
What is the InChIKey of 4-fluoro-N'-methylpiperidine-1-carboximidamide?
The InChIKey is YZNSILKKIZURNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN3/c1-10-7(9)11-4-2-6(8)3-5-11/h6H,2-5H2,1H3,(H2,9,10).
What are the key properties of 4-fluoro-N'-methylpiperidine-1-carboximidamide?
4-fluoro-N'-methylpiperidine-1-carboximidamide has a molecular weight of 159.21 g/mol, XLogP of 0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N'-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 89374624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).