2-fluoro-5-(3-methoxypiperidin-4-yl)-4-methylpiperidine

C12H23FN2O — CID 23157128

IUPAC2-fluoro-5-(3-methoxypiperidin-4-yl)-4-methylpiperidine
SMILESCOC1CNCCC1C1CNC(F)CC1C
InChIInChI=1S/C12H23FN2O/c1-8-5-12(13)15-6-10(8)9-3-4-14-7-11(9)16-2/h8-12,14-15H,3-7H2,1-2H3
InChIKeyVCYLOYHKLFPDNH-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.15
Rot. Bonds2

About 2-fluoro-5-(3-methoxypiperidin-4-yl)-4-methylpiperidine

2-fluoro-5-(3-methoxypiperidin-4-yl)-4-methylpiperidine (PubChem CID 23157128) has the molecular formula C12H23FN2O and a molecular weight of 230.33 g/mol. Its IUPAC name is 2-fluoro-5-(3-methoxypiperidin-4-yl)-4-methylpiperidine.

Molecular Properties

Compound Name2-fluoro-5-(3-methoxypiperidin-4-yl)-4-methylpiperidine
PubChem CID23157128
Molecular FormulaC12H23FN2O
Molecular Weight230.33 g/mol
Exact Mass230.18
IUPAC Name2-fluoro-5-(3-methoxypiperidin-4-yl)-4-methylpiperidine
SMILESCOC1CNCCC1C1CNC(F)CC1C
InChIInChI=1S/C12H23FN2O/c1-8-5-12(13)15-6-10(8)9-3-4-14-7-11(9)16-2/h8-12,14-15H,3-7H2,1-2H3
InChIKeyVCYLOYHKLFPDNH-UHFFFAOYSA-N
XLogP1.15
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-fluoro-5-(3-methoxypiperidin-4-yl)-4-methylpiperidine 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 2-fluoro-5-(3-methoxypiperidin-4-yl)-4-methylpiperidine?
The IUPAC name of 2-fluoro-5-(3-methoxypiperidin-4-yl)-4-methylpiperidine (CID 23157128) is 2-fluoro-5-(3-methoxypiperidin-4-yl)-4-methylpiperidine.
What is the SMILES notation for 2-fluoro-5-(3-methoxypiperidin-4-yl)-4-methylpiperidine?
The canonical SMILES for 2-fluoro-5-(3-methoxypiperidin-4-yl)-4-methylpiperidine is COC1CNCCC1C1CNC(F)CC1C.
What is the InChIKey of 2-fluoro-5-(3-methoxypiperidin-4-yl)-4-methylpiperidine?
The InChIKey is VCYLOYHKLFPDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FN2O/c1-8-5-12(13)15-6-10(8)9-3-4-14-7-11(9)16-2/h8-12,14-15H,3-7H2,1-2H3.
What are the key properties of 2-fluoro-5-(3-methoxypiperidin-4-yl)-4-methylpiperidine?
2-fluoro-5-(3-methoxypiperidin-4-yl)-4-methylpiperidine has a molecular weight of 230.33 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(3-methoxypiperidin-4-yl)-4-methylpiperidine is sourced from PubChem (CID 23157128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).