4-[2-(3-fluorophenoxy)-4-methylphenyl]piperidine

C18H20FNO — CID 45483408

IUPAC4-[2-(3-fluorophenoxy)-4-methylphenyl]piperidine
SMILESCc1ccc(C2CCNCC2)c(Oc2cccc(F)c2)c1
InChIInChI=1S/C18H20FNO/c1-13-5-6-17(14-7-9-20-10-8-14)18(11-13)21-16-4-2-3-15(19)12-16/h2-6,11-12,14,20H,7-10H2,1H3
InChIKeyBBYFZRZFESDGLZ-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.39
Rot. Bonds3

About 4-[2-(3-fluorophenoxy)-4-methylphenyl]piperidine

4-[2-(3-fluorophenoxy)-4-methylphenyl]piperidine (PubChem CID 45483408) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 4-[2-(3-fluorophenoxy)-4-methylphenyl]piperidine.

Molecular Properties

Compound Name4-[2-(3-fluorophenoxy)-4-methylphenyl]piperidine
PubChem CID45483408
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name4-[2-(3-fluorophenoxy)-4-methylphenyl]piperidine
SMILESCc1ccc(C2CCNCC2)c(Oc2cccc(F)c2)c1
InChIInChI=1S/C18H20FNO/c1-13-5-6-17(14-7-9-20-10-8-14)18(11-13)21-16-4-2-3-15(19)12-16/h2-6,11-12,14,20H,7-10H2,1H3
InChIKeyBBYFZRZFESDGLZ-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluorophenoxy)-4-methylphenyl]piperidine?
The IUPAC name of 4-[2-(3-fluorophenoxy)-4-methylphenyl]piperidine (CID 45483408) is 4-[2-(3-fluorophenoxy)-4-methylphenyl]piperidine.
What is the SMILES notation for 4-[2-(3-fluorophenoxy)-4-methylphenyl]piperidine?
The canonical SMILES for 4-[2-(3-fluorophenoxy)-4-methylphenyl]piperidine is Cc1ccc(C2CCNCC2)c(Oc2cccc(F)c2)c1.
What is the InChIKey of 4-[2-(3-fluorophenoxy)-4-methylphenyl]piperidine?
The InChIKey is BBYFZRZFESDGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-13-5-6-17(14-7-9-20-10-8-14)18(11-13)21-16-4-2-3-15(19)12-16/h2-6,11-12,14,20H,7-10H2,1H3.
What are the key properties of 4-[2-(3-fluorophenoxy)-4-methylphenyl]piperidine?
4-[2-(3-fluorophenoxy)-4-methylphenyl]piperidine has a molecular weight of 285.36 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluorophenoxy)-4-methylphenyl]piperidine is sourced from PubChem (CID 45483408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).