3-fluoro-2-methoxy-5-methylidenepiperidine

C7H12FNO — CID 90934404

IUPAC3-fluoro-2-methoxy-5-methylidenepiperidine
SMILESC=C1CNC(OC)C(F)C1
InChIInChI=1S/C7H12FNO/c1-5-3-6(8)7(10-2)9-4-5/h6-7,9H,1,3-4H2,2H3
InChIKeyQBNJRIOMENZSLD-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.85
Rot. Bonds1

About 3-fluoro-2-methoxy-5-methylidenepiperidine

3-fluoro-2-methoxy-5-methylidenepiperidine (PubChem CID 90934404) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 3-fluoro-2-methoxy-5-methylidenepiperidine.

Molecular Properties

Compound Name3-fluoro-2-methoxy-5-methylidenepiperidine
PubChem CID90934404
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name3-fluoro-2-methoxy-5-methylidenepiperidine
SMILESC=C1CNC(OC)C(F)C1
InChIInChI=1S/C7H12FNO/c1-5-3-6(8)7(10-2)9-4-5/h6-7,9H,1,3-4H2,2H3
InChIKeyQBNJRIOMENZSLD-UHFFFAOYSA-N
XLogP0.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-fluoro-2-methoxy-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

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methoxy-5-methylidenepiperidine?
The IUPAC name of 3-fluoro-2-methoxy-5-methylidenepiperidine (CID 90934404) is 3-fluoro-2-methoxy-5-methylidenepiperidine.
What is the SMILES notation for 3-fluoro-2-methoxy-5-methylidenepiperidine?
The canonical SMILES for 3-fluoro-2-methoxy-5-methylidenepiperidine is C=C1CNC(OC)C(F)C1.
What is the InChIKey of 3-fluoro-2-methoxy-5-methylidenepiperidine?
The InChIKey is QBNJRIOMENZSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO/c1-5-3-6(8)7(10-2)9-4-5/h6-7,9H,1,3-4H2,2H3.
What are the key properties of 3-fluoro-2-methoxy-5-methylidenepiperidine?
3-fluoro-2-methoxy-5-methylidenepiperidine has a molecular weight of 145.18 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methoxy-5-methylidenepiperidine is sourced from PubChem (CID 90934404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).