4-(4-fluoro-3-methylphenoxy)-1-methylpiperidine

C13H18FNO — CID 90260319

IUPAC4-(4-fluoro-3-methylphenoxy)-1-methylpiperidine
SMILESCc1cc(OC2CCN(C)CC2)ccc1F
InChIInChI=1S/C13H18FNO/c1-10-9-12(3-4-13(10)14)16-11-5-7-15(2)8-6-11/h3-4,9,11H,5-8H2,1-2H3
InChIKeyVLACWAQVPJQXME-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.61
Rot. Bonds2

About 4-(4-fluoro-3-methylphenoxy)-1-methylpiperidine

4-(4-fluoro-3-methylphenoxy)-1-methylpiperidine (PubChem CID 90260319) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-(4-fluoro-3-methylphenoxy)-1-methylpiperidine.

Molecular Properties

Compound Name4-(4-fluoro-3-methylphenoxy)-1-methylpiperidine
PubChem CID90260319
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name4-(4-fluoro-3-methylphenoxy)-1-methylpiperidine
SMILESCc1cc(OC2CCN(C)CC2)ccc1F
InChIInChI=1S/C13H18FNO/c1-10-9-12(3-4-13(10)14)16-11-5-7-15(2)8-6-11/h3-4,9,11H,5-8H2,1-2H3
InChIKeyVLACWAQVPJQXME-UHFFFAOYSA-N
XLogP2.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methylphenoxy)-1-methylpiperidine?
The IUPAC name of 4-(4-fluoro-3-methylphenoxy)-1-methylpiperidine (CID 90260319) is 4-(4-fluoro-3-methylphenoxy)-1-methylpiperidine.
What is the SMILES notation for 4-(4-fluoro-3-methylphenoxy)-1-methylpiperidine?
The canonical SMILES for 4-(4-fluoro-3-methylphenoxy)-1-methylpiperidine is Cc1cc(OC2CCN(C)CC2)ccc1F.
What is the InChIKey of 4-(4-fluoro-3-methylphenoxy)-1-methylpiperidine?
The InChIKey is VLACWAQVPJQXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-10-9-12(3-4-13(10)14)16-11-5-7-15(2)8-6-11/h3-4,9,11H,5-8H2,1-2H3.
What are the key properties of 4-(4-fluoro-3-methylphenoxy)-1-methylpiperidine?
4-(4-fluoro-3-methylphenoxy)-1-methylpiperidine has a molecular weight of 223.29 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methylphenoxy)-1-methylpiperidine is sourced from PubChem (CID 90260319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).