1-[3-(4-fluorophenoxy)propyl]-2-methylpiperidine

C15H22FNO — CID 54151521

IUPAC1-[3-(4-fluorophenoxy)propyl]-2-methylpiperidine
SMILESCC1CCCCN1CCCOc1ccc(F)cc1
InChIInChI=1S/C15H22FNO/c1-13-5-2-3-10-17(13)11-4-12-18-15-8-6-14(16)7-9-15/h6-9,13H,2-5,10-12H2,1H3
InChIKeyOIBPAIRGDORKGV-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.47
Rot. Bonds5

About 1-[3-(4-fluorophenoxy)propyl]-2-methylpiperidine

1-[3-(4-fluorophenoxy)propyl]-2-methylpiperidine (PubChem CID 54151521) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 1-[3-(4-fluorophenoxy)propyl]-2-methylpiperidine.

Molecular Properties

Compound Name1-[3-(4-fluorophenoxy)propyl]-2-methylpiperidine
PubChem CID54151521
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name1-[3-(4-fluorophenoxy)propyl]-2-methylpiperidine
SMILESCC1CCCCN1CCCOc1ccc(F)cc1
InChIInChI=1S/C15H22FNO/c1-13-5-2-3-10-17(13)11-4-12-18-15-8-6-14(16)7-9-15/h6-9,13H,2-5,10-12H2,1H3
InChIKeyOIBPAIRGDORKGV-UHFFFAOYSA-N
XLogP3.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[3-(4-fluorophenoxy)propyl]-2-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 1-[3-(4-fluorophenoxy)propyl]-2-methylpiperidine?
The IUPAC name of 1-[3-(4-fluorophenoxy)propyl]-2-methylpiperidine (CID 54151521) is 1-[3-(4-fluorophenoxy)propyl]-2-methylpiperidine.
What is the SMILES notation for 1-[3-(4-fluorophenoxy)propyl]-2-methylpiperidine?
The canonical SMILES for 1-[3-(4-fluorophenoxy)propyl]-2-methylpiperidine is CC1CCCCN1CCCOc1ccc(F)cc1.
What is the InChIKey of 1-[3-(4-fluorophenoxy)propyl]-2-methylpiperidine?
The InChIKey is OIBPAIRGDORKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-13-5-2-3-10-17(13)11-4-12-18-15-8-6-14(16)7-9-15/h6-9,13H,2-5,10-12H2,1H3.
What are the key properties of 1-[3-(4-fluorophenoxy)propyl]-2-methylpiperidine?
1-[3-(4-fluorophenoxy)propyl]-2-methylpiperidine has a molecular weight of 251.34 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenoxy)propyl]-2-methylpiperidine is sourced from PubChem (CID 54151521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).