4-[[3-fluoro-2-(2-fluorophenoxy)phenyl]methyl]piperidine

C18H19F2NO — CID 18669380

IUPAC4-[[3-fluoro-2-(2-fluorophenoxy)phenyl]methyl]piperidine
SMILESFc1ccccc1Oc1c(F)cccc1CC1CCNCC1
InChIInChI=1S/C18H19F2NO/c19-15-5-1-2-7-17(15)22-18-14(4-3-6-16(18)20)12-13-8-10-21-11-9-13/h1-7,13,21H,8-12H2
InChIKeyFXGGCUSKJSBTGD-UHFFFAOYSA-N
MW303.35 g/mol
LogP4.30
Rot. Bonds4

About 4-[[3-fluoro-2-(2-fluorophenoxy)phenyl]methyl]piperidine

4-[[3-fluoro-2-(2-fluorophenoxy)phenyl]methyl]piperidine (PubChem CID 18669380) has the molecular formula C18H19F2NO and a molecular weight of 303.35 g/mol. Its IUPAC name is 4-[[3-fluoro-2-(2-fluorophenoxy)phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-[[3-fluoro-2-(2-fluorophenoxy)phenyl]methyl]piperidine
PubChem CID18669380
Molecular FormulaC18H19F2NO
Molecular Weight303.35 g/mol
Exact Mass303.14
IUPAC Name4-[[3-fluoro-2-(2-fluorophenoxy)phenyl]methyl]piperidine
SMILESFc1ccccc1Oc1c(F)cccc1CC1CCNCC1
InChIInChI=1S/C18H19F2NO/c19-15-5-1-2-7-17(15)22-18-14(4-3-6-16(18)20)12-13-8-10-21-11-9-13/h1-7,13,21H,8-12H2
InChIKeyFXGGCUSKJSBTGD-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-fluoro-2-(2-fluorophenoxy)phenyl]methyl]piperidine?
The IUPAC name of 4-[[3-fluoro-2-(2-fluorophenoxy)phenyl]methyl]piperidine (CID 18669380) is 4-[[3-fluoro-2-(2-fluorophenoxy)phenyl]methyl]piperidine.
What is the SMILES notation for 4-[[3-fluoro-2-(2-fluorophenoxy)phenyl]methyl]piperidine?
The canonical SMILES for 4-[[3-fluoro-2-(2-fluorophenoxy)phenyl]methyl]piperidine is Fc1ccccc1Oc1c(F)cccc1CC1CCNCC1.
What is the InChIKey of 4-[[3-fluoro-2-(2-fluorophenoxy)phenyl]methyl]piperidine?
The InChIKey is FXGGCUSKJSBTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO/c19-15-5-1-2-7-17(15)22-18-14(4-3-6-16(18)20)12-13-8-10-21-11-9-13/h1-7,13,21H,8-12H2.
What are the key properties of 4-[[3-fluoro-2-(2-fluorophenoxy)phenyl]methyl]piperidine?
4-[[3-fluoro-2-(2-fluorophenoxy)phenyl]methyl]piperidine has a molecular weight of 303.35 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-fluoro-2-(2-fluorophenoxy)phenyl]methyl]piperidine is sourced from PubChem (CID 18669380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).