4-fluoro-3-methyl-5-methylidenepiperidine

C7H12FN — CID 91562476

IUPAC4-fluoro-3-methyl-5-methylidenepiperidine
SMILESC=C1CNCC(C)C1F
InChIInChI=1S/C7H12FN/c1-5-3-9-4-6(2)7(5)8/h6-7,9H,1,3-4H2,2H3
InChIKeyAYTSRISTGLKEPR-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.12
Rot. Bonds

About 4-fluoro-3-methyl-5-methylidenepiperidine

4-fluoro-3-methyl-5-methylidenepiperidine (PubChem CID 91562476) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is 4-fluoro-3-methyl-5-methylidenepiperidine.

Molecular Properties

Compound Name4-fluoro-3-methyl-5-methylidenepiperidine
PubChem CID91562476
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name4-fluoro-3-methyl-5-methylidenepiperidine
SMILESC=C1CNCC(C)C1F
InChIInChI=1S/C7H12FN/c1-5-3-9-4-6(2)7(5)8/h6-7,9H,1,3-4H2,2H3
InChIKeyAYTSRISTGLKEPR-UHFFFAOYSA-N
XLogP1.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-fluoro-3-methyl-5-methylidenepiperidine with MolForge

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

Launch Full Analysis

Related Compounds

4-(Fluoromethylene)piperidine
CID 73813441
2-Fluoro-3-methylidenepiperidine
CID 90706861
2-(Fluoromethyl)-5-methylidenepiperidine
CID 90880541
2-Fluoro-5-methyl-3-methylidenepiperidine
CID 90958501
3-Fluoro-5-methylidenepiperidine
CID 91005006
3-Methylidene-4-(trifluoromethyl)piperidine
CID 91066008
4-Fluoro-3-methylidenepiperidine
CID 91085263
2-Fluoro-5-methylidenepiperidine
CID 91148357
2-Fluoro-3-methyl-5-methylidenepiperidine
CID 91268810
3-Fluoro-2-methyl-5-methylidenepiperidine
CID 91280837
6-Fluoro-2-methyl-3-methylidenepiperidine
CID 91301118
3-(Fluoromethyl)-5-methylidenepiperidine
CID 91311017

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-5-methylidenepiperidine?
The IUPAC name of 4-fluoro-3-methyl-5-methylidenepiperidine (CID 91562476) is 4-fluoro-3-methyl-5-methylidenepiperidine.
What is the SMILES notation for 4-fluoro-3-methyl-5-methylidenepiperidine?
The canonical SMILES for 4-fluoro-3-methyl-5-methylidenepiperidine is C=C1CNCC(C)C1F.
What is the InChIKey of 4-fluoro-3-methyl-5-methylidenepiperidine?
The InChIKey is AYTSRISTGLKEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN/c1-5-3-9-4-6(2)7(5)8/h6-7,9H,1,3-4H2,2H3.
What are the key properties of 4-fluoro-3-methyl-5-methylidenepiperidine?
4-fluoro-3-methyl-5-methylidenepiperidine has a molecular weight of 129.18 g/mol, XLogP of 1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-5-methylidenepiperidine is sourced from PubChem (CID 91562476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).