4-[(3-fluorophenoxy)-(3-fluorophenyl)methyl]piperidine

C18H19F2NO — CID 10266962

IUPAC4-[(3-fluorophenoxy)-(3-fluorophenyl)methyl]piperidine
SMILESFc1cccc(OC(c2cccc(F)c2)C2CCNCC2)c1
InChIInChI=1S/C18H19F2NO/c19-15-4-1-3-14(11-15)18(13-7-9-21-10-8-13)22-17-6-2-5-16(20)12-17/h1-6,11-13,18,21H,7-10H2
InChIKeySTYXBCSSCAAJQI-UHFFFAOYSA-N
MW303.35 g/mol
LogP4.08
Rot. Bonds4

About 4-[(3-fluorophenoxy)-(3-fluorophenyl)methyl]piperidine

4-[(3-fluorophenoxy)-(3-fluorophenyl)methyl]piperidine (PubChem CID 10266962) has the molecular formula C18H19F2NO and a molecular weight of 303.35 g/mol. Its IUPAC name is 4-[(3-fluorophenoxy)-(3-fluorophenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(3-fluorophenoxy)-(3-fluorophenyl)methyl]piperidine
PubChem CID10266962
Molecular FormulaC18H19F2NO
Molecular Weight303.35 g/mol
Exact Mass303.14
IUPAC Name4-[(3-fluorophenoxy)-(3-fluorophenyl)methyl]piperidine
SMILESFc1cccc(OC(c2cccc(F)c2)C2CCNCC2)c1
InChIInChI=1S/C18H19F2NO/c19-15-4-1-3-14(11-15)18(13-7-9-21-10-8-13)22-17-6-2-5-16(20)12-17/h1-6,11-13,18,21H,7-10H2
InChIKeySTYXBCSSCAAJQI-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenoxy)-(3-fluorophenyl)methyl]piperidine?
The IUPAC name of 4-[(3-fluorophenoxy)-(3-fluorophenyl)methyl]piperidine (CID 10266962) is 4-[(3-fluorophenoxy)-(3-fluorophenyl)methyl]piperidine.
What is the SMILES notation for 4-[(3-fluorophenoxy)-(3-fluorophenyl)methyl]piperidine?
The canonical SMILES for 4-[(3-fluorophenoxy)-(3-fluorophenyl)methyl]piperidine is Fc1cccc(OC(c2cccc(F)c2)C2CCNCC2)c1.
What is the InChIKey of 4-[(3-fluorophenoxy)-(3-fluorophenyl)methyl]piperidine?
The InChIKey is STYXBCSSCAAJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO/c19-15-4-1-3-14(11-15)18(13-7-9-21-10-8-13)22-17-6-2-5-16(20)12-17/h1-6,11-13,18,21H,7-10H2.
What are the key properties of 4-[(3-fluorophenoxy)-(3-fluorophenyl)methyl]piperidine?
4-[(3-fluorophenoxy)-(3-fluorophenyl)methyl]piperidine has a molecular weight of 303.35 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenoxy)-(3-fluorophenyl)methyl]piperidine is sourced from PubChem (CID 10266962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).