6-fluoro-2-methyl-3-methylidenepiperidine

C7H12FN — CID 91301118

IUPAC6-fluoro-2-methyl-3-methylidenepiperidine
SMILESC=C1CCC(F)NC1C
InChIInChI=1S/C7H12FN/c1-5-3-4-7(8)9-6(5)2/h6-7,9H,1,3-4H2,2H3
InChIKeyPFPQCVWFMYFJDY-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.61
Rot. Bonds

About 6-fluoro-2-methyl-3-methylidenepiperidine

6-fluoro-2-methyl-3-methylidenepiperidine (PubChem CID 91301118) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is 6-fluoro-2-methyl-3-methylidenepiperidine.

Molecular Properties

Compound Name6-fluoro-2-methyl-3-methylidenepiperidine
PubChem CID91301118
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name6-fluoro-2-methyl-3-methylidenepiperidine
SMILESC=C1CCC(F)NC1C
InChIInChI=1S/C7H12FN/c1-5-3-4-7(8)9-6(5)2/h6-7,9H,1,3-4H2,2H3
InChIKeyPFPQCVWFMYFJDY-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-fluoro-2-methyl-3-methylidenepiperidine 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 6-fluoro-2-methyl-3-methylidenepiperidine?
The IUPAC name of 6-fluoro-2-methyl-3-methylidenepiperidine (CID 91301118) is 6-fluoro-2-methyl-3-methylidenepiperidine.
What is the SMILES notation for 6-fluoro-2-methyl-3-methylidenepiperidine?
The canonical SMILES for 6-fluoro-2-methyl-3-methylidenepiperidine is C=C1CCC(F)NC1C.
What is the InChIKey of 6-fluoro-2-methyl-3-methylidenepiperidine?
The InChIKey is PFPQCVWFMYFJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN/c1-5-3-4-7(8)9-6(5)2/h6-7,9H,1,3-4H2,2H3.
What are the key properties of 6-fluoro-2-methyl-3-methylidenepiperidine?
6-fluoro-2-methyl-3-methylidenepiperidine has a molecular weight of 129.18 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-3-methylidenepiperidine is sourced from PubChem (CID 91301118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).