2-(2-chloro-5-fluorophenoxy)-3-piperidin-4-ylpyridine

C16H16ClFN2O — CID 46230756

IUPAC2-(2-chloro-5-fluorophenoxy)-3-piperidin-4-ylpyridine
SMILESFc1ccc(Cl)c(Oc2ncccc2C2CCNCC2)c1
InChIInChI=1S/C16H16ClFN2O/c17-14-4-3-12(18)10-15(14)21-16-13(2-1-7-20-16)11-5-8-19-9-6-11/h1-4,7,10-11,19H,5-6,8-9H2
InChIKeyHMSJPIAQQVBQMP-UHFFFAOYSA-N
MW306.77 g/mol
LogP4.13
Rot. Bonds3

About 2-(2-chloro-5-fluorophenoxy)-3-piperidin-4-ylpyridine

2-(2-chloro-5-fluorophenoxy)-3-piperidin-4-ylpyridine (PubChem CID 46230756) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenoxy)-3-piperidin-4-ylpyridine.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenoxy)-3-piperidin-4-ylpyridine
PubChem CID46230756
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC Name2-(2-chloro-5-fluorophenoxy)-3-piperidin-4-ylpyridine
SMILESFc1ccc(Cl)c(Oc2ncccc2C2CCNCC2)c1
InChIInChI=1S/C16H16ClFN2O/c17-14-4-3-12(18)10-15(14)21-16-13(2-1-7-20-16)11-5-8-19-9-6-11/h1-4,7,10-11,19H,5-6,8-9H2
InChIKeyHMSJPIAQQVBQMP-UHFFFAOYSA-N
XLogP4.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenoxy)-3-piperidin-4-ylpyridine?
The IUPAC name of 2-(2-chloro-5-fluorophenoxy)-3-piperidin-4-ylpyridine (CID 46230756) is 2-(2-chloro-5-fluorophenoxy)-3-piperidin-4-ylpyridine.
What is the SMILES notation for 2-(2-chloro-5-fluorophenoxy)-3-piperidin-4-ylpyridine?
The canonical SMILES for 2-(2-chloro-5-fluorophenoxy)-3-piperidin-4-ylpyridine is Fc1ccc(Cl)c(Oc2ncccc2C2CCNCC2)c1.
What is the InChIKey of 2-(2-chloro-5-fluorophenoxy)-3-piperidin-4-ylpyridine?
The InChIKey is HMSJPIAQQVBQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c17-14-4-3-12(18)10-15(14)21-16-13(2-1-7-20-16)11-5-8-19-9-6-11/h1-4,7,10-11,19H,5-6,8-9H2.
What are the key properties of 2-(2-chloro-5-fluorophenoxy)-3-piperidin-4-ylpyridine?
2-(2-chloro-5-fluorophenoxy)-3-piperidin-4-ylpyridine has a molecular weight of 306.77 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenoxy)-3-piperidin-4-ylpyridine is sourced from PubChem (CID 46230756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).