4-[1-(4-fluorophenoxy)ethenoxy]-1-methylpiperidine

C14H18FNO2 — CID 122542342

IUPAC4-[1-(4-fluorophenoxy)ethenoxy]-1-methylpiperidine
SMILESC=C(Oc1ccc(F)cc1)OC1CCN(C)CC1
InChIInChI=1S/C14H18FNO2/c1-11(17-13-5-3-12(15)4-6-13)18-14-7-9-16(2)10-8-14/h3-6,14H,1,7-10H2,2H3
InChIKeyDFBDEHWEYSZAMG-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.79
Rot. Bonds4

About 4-[1-(4-fluorophenoxy)ethenoxy]-1-methylpiperidine

4-[1-(4-fluorophenoxy)ethenoxy]-1-methylpiperidine (PubChem CID 122542342) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 4-[1-(4-fluorophenoxy)ethenoxy]-1-methylpiperidine.

Molecular Properties

Compound Name4-[1-(4-fluorophenoxy)ethenoxy]-1-methylpiperidine
PubChem CID122542342
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name4-[1-(4-fluorophenoxy)ethenoxy]-1-methylpiperidine
SMILESC=C(Oc1ccc(F)cc1)OC1CCN(C)CC1
InChIInChI=1S/C14H18FNO2/c1-11(17-13-5-3-12(15)4-6-13)18-14-7-9-16(2)10-8-14/h3-6,14H,1,7-10H2,2H3
InChIKeyDFBDEHWEYSZAMG-UHFFFAOYSA-N
XLogP2.79
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 4-[1-(4-fluorophenoxy)ethenoxy]-1-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 4-[1-(4-fluorophenoxy)ethenoxy]-1-methylpiperidine?
The IUPAC name of 4-[1-(4-fluorophenoxy)ethenoxy]-1-methylpiperidine (CID 122542342) is 4-[1-(4-fluorophenoxy)ethenoxy]-1-methylpiperidine.
What is the SMILES notation for 4-[1-(4-fluorophenoxy)ethenoxy]-1-methylpiperidine?
The canonical SMILES for 4-[1-(4-fluorophenoxy)ethenoxy]-1-methylpiperidine is C=C(Oc1ccc(F)cc1)OC1CCN(C)CC1.
What is the InChIKey of 4-[1-(4-fluorophenoxy)ethenoxy]-1-methylpiperidine?
The InChIKey is DFBDEHWEYSZAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-11(17-13-5-3-12(15)4-6-13)18-14-7-9-16(2)10-8-14/h3-6,14H,1,7-10H2,2H3.
What are the key properties of 4-[1-(4-fluorophenoxy)ethenoxy]-1-methylpiperidine?
4-[1-(4-fluorophenoxy)ethenoxy]-1-methylpiperidine has a molecular weight of 251.30 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenoxy)ethenoxy]-1-methylpiperidine is sourced from PubChem (CID 122542342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).