4-[2-(2-fluoro-5-methylphenoxy)phenyl]piperidine

C18H20FNO — CID 45483409

IUPAC4-[2-(2-fluoro-5-methylphenoxy)phenyl]piperidine
SMILESCc1ccc(F)c(Oc2ccccc2C2CCNCC2)c1
InChIInChI=1S/C18H20FNO/c1-13-6-7-16(19)18(12-13)21-17-5-3-2-4-15(17)14-8-10-20-11-9-14/h2-7,12,14,20H,8-11H2,1H3
InChIKeyQPPDVPUFQFPJKK-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.39
Rot. Bonds3

About 4-[2-(2-fluoro-5-methylphenoxy)phenyl]piperidine

4-[2-(2-fluoro-5-methylphenoxy)phenyl]piperidine (PubChem CID 45483409) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 4-[2-(2-fluoro-5-methylphenoxy)phenyl]piperidine.

Molecular Properties

Compound Name4-[2-(2-fluoro-5-methylphenoxy)phenyl]piperidine
PubChem CID45483409
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name4-[2-(2-fluoro-5-methylphenoxy)phenyl]piperidine
SMILESCc1ccc(F)c(Oc2ccccc2C2CCNCC2)c1
InChIInChI=1S/C18H20FNO/c1-13-6-7-16(19)18(12-13)21-17-5-3-2-4-15(17)14-8-10-20-11-9-14/h2-7,12,14,20H,8-11H2,1H3
InChIKeyQPPDVPUFQFPJKK-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-(2-fluoro-5-methylphenoxy)phenyl]piperidine?
The IUPAC name of 4-[2-(2-fluoro-5-methylphenoxy)phenyl]piperidine (CID 45483409) is 4-[2-(2-fluoro-5-methylphenoxy)phenyl]piperidine.
What is the SMILES notation for 4-[2-(2-fluoro-5-methylphenoxy)phenyl]piperidine?
The canonical SMILES for 4-[2-(2-fluoro-5-methylphenoxy)phenyl]piperidine is Cc1ccc(F)c(Oc2ccccc2C2CCNCC2)c1.
What is the InChIKey of 4-[2-(2-fluoro-5-methylphenoxy)phenyl]piperidine?
The InChIKey is QPPDVPUFQFPJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-13-6-7-16(19)18(12-13)21-17-5-3-2-4-15(17)14-8-10-20-11-9-14/h2-7,12,14,20H,8-11H2,1H3.
What are the key properties of 4-[2-(2-fluoro-5-methylphenoxy)phenyl]piperidine?
4-[2-(2-fluoro-5-methylphenoxy)phenyl]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-(2-fluoro-5-methylphenoxy)phenyl]piperidine is sourced from PubChem (CID 45483409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).